مقالات ارائه شده در مجلات

فارسی

  1. وحیدرضا داروگر , محمد وکیلی , سیدفرامرز طیاری , مطالعه نظری و تجربی تاتومری مشتقات هالوژنه پارا تری فلوئوروبنزوئیل استون به کمک نظریه تابعی - چگالی و طیف سنجی ارتعاشی, شیمی کوانتومی و اسپکتروسکوپی, دوره (9), شماره (29), سال (2019-8), صفحات (53-71)
  2. وحیدرضا داروگر , محمد وکیلی , حسین عشقی , تاتومری و قدرت پیوند هیدروژنی درون مولکولی پارا کلر بنزوئیل استون بوسیله محاسبات کوانتومی - و نتایج طیف سنجی, شیمی کوانتومی و اسپکتروسکوپی, دوره (7), شماره (22), سال (2017-11), صفحات (27-34)
  3. سید مهدی موسوی نژاد , محراب مدهوشی , داود رسولی , محمد وکیلی , ارزیابی غیرمخرب ترکیبات شیمیایی چوب های مورد استفاده در بناهای تاریخی منطقه گرگان با استفاده از طیف سنجیFT-IR, پژوهش های حفاظت آب و خاک, دوره (23), شماره (1), سال (2017-2), صفحات (313-327)
  4. عبدالرضا نکویی , نسرین صنعتی , محمد وکیلی , ﻣﻄﺎﻟﻌﺎت ﻧﻈﺮی روی اﺛﺮ ﺟﺎﻧﺸﯿﻨﯽ ﻫﺎﻟﻮژن در ﻣﻮﻗﻌﯿﺖ آﻟﻔﺎی ﺗﺮﮐﯿﺐ1و1و1-ﺗﺮیﻓﻠﻮرو-5و5-دیﻣﺘﯿﻞ- 2و4-ﻫﮕﺰان دی اُن, شیمی کوانتومی و اسپکتروسکوپی, دوره (3), شماره (1), سال (2011-11), صفحات (45-51)
  5. عبدالرضا نکوئی , محمد وکیلی , اثر استخلاف CF3 در موقعیت β بر قدرت پیوند هیدروژنی درون مولکولی β- دی کتون ها به کمک نظریه تابعی چگال (DFT), شیمی کوانتومی و اسپکتروسکوپی, دوره (2), شماره (1), سال (2011-4), صفحات (29-34)
  6. محمد وکیلی , عبدالرضا نکوئی , فرخزاد محمدی زنوز , اثر استخلاف گروه فنیل در موقعیت β بر قدرت پیوند هیدروژنی درون مولکولی β دی کتون ها به کمک نظریه تابعی چگال (DFT), شیمی کوانتومی و اسپکتروسکوپی, دوره (1), شماره (1), سال (2011-4), صفحات (27-32)

انگلیسی

  1. Maliheh Khorramaki , Mehrdad Pourayoubi , vahid rezaei yazdan abad , Vahidreza Darugar , Mohamad Vakili , واکلاو اینگر , مایکل دوسک , Supramolecular assembly mediated through NH···OX (X = C, N, P) hydrogen bonds and Y···π (Y = Br, π) contacts: Structural/computational studies of the P(O)(NHC(O)C6H4-3-NO2)(NHC6H4-3-Br)2 phosphoric triamide, Journal of Molecular Structure, Volume (1321), Year (2025-2), Pages (140068-140081)
  2. Zahra Valizadeh Abbasghaleh , Mohamad Vakili , محسن عباسپور , Vahidreza Darugar , Effect of external electric and magnetic fields on the structural properties of gold nanoclusters formed during inert-gas condensation process in different environments using molecular dynamics simulations, Journal of Molecular Liquids, Volume (414), Year (2024-11), Pages (126142-126161)
  3. Azam Roohi , Mohammad Reza Housaindokht , محمد رضا بزرگمهر , Mohamad Vakili , Impact of surface-active ionic solutions on the structure and function of laccase from trametes versicolor: Insights from molecular dynamics simulations, Journal of Molecular Graphics and Modelling, Volume (132), Year (2024-11), Pages (108844-108856)
  4. Vahidreza Darugar , Mohamad Vakili , سمیه حیدری , علیرضا برنجی , Conductance characteristics of naphthopyran as a light-sensitive molecular optical junction: a joint NEGF-DFT and TD-DFT study, Journal of Computational Electronics, Year (2024-8)
  5. Erfan Jalili , Mohamad Vakili , Vahidreza Darugar , Hossein Eshghi , Sayyed Faramarz Tayyari , Structure, Tautomeric, and intramolecular hydrogen bond of Difluorobenzoylacetone; IR, UV, NMR, and quantum calculation studies, Journal of Molecular Structure, Volume (1316), Year (2024-6)
  6. Amin Hamedian , Mohamad Vakili , سیلویا آنتونیا براندون , محمود اکبری , ایوب کنعانی , Vahidreza Darugar , Theoretical study on the structure, spectroscopic, and current–voltage behavior of 11-Cis and Trans retinal isomers in rhodopsin, Scientific Reports, Volume (14), No (1), Year (2024-5)
  7. Zahra Valizadeh Abbasghaleh , Mohamad Vakili , محسن عباسپور , Vahidreza Darugar , Effect of water and ionic liquid vapors on the structural properties of gold nanoclusters formed during inert-gas condensation process using molecular dynamics simulations, Journal of Molecular Liquids, Volume (403), No (1), Year (2024-6), Pages (124867-124880)
  8. Vahidreza Darugar , Mohamad Vakili , سمیه حیدری , مریم طاهری , سیلویا آنتونیا براندون , ماریا وی کاستیلو , Molecular approach of Au–Stilbene–Au and Au–TCAB–Au molecular optical electronic devices designed for organic light-sensitive circuits, Optical and Quantum Electronics, Volume (56), No (5), Year (2024-3)
  9. Mahnoosh Hakimitabar , Mohamad Vakili , Mohammad Reza Housaindokht , Vahidreza Darugar , Sayyed Faramarz Tayyari , Influence of fluorine substitution on the molecular structure, vibrational assignment, Cu–O bond strength and biological properties by comparing copper (II) trifluorobenzoylacetonate and benzoylacetonate complexes, Journal of the Iranian Chemical Society, Volume (20), No (12), Year (2023-9), Pages (2949-2961)
  10. Mahnoosh Hakimitabar , Mohamad Vakili , Vahidreza Darugar , Mahmood Akbari , Sayyed Faramarz Tayyari , Mohammad Reza Housaindokht , The effect of alkyl substituents in the β-side on the conformation, molecular structure, and copper-oxygen bond strength of bis(β-diketonato)copper(II) complexes by DFT results and experimental vibrational and UV spectra, Transition Metal Chemistry, Volume (48), No (5), Year (2023-7), Pages (315-329)
  11. Maria E. Manzur , Maximiliano A. Iramain , Vahidreza Darugar , Mohamad Vakili , Silvia Antonia Brandan , Impact of Different Groups on Properties of All Members of the Series of 1-X-Benzotriazole Derivatives (X= H, OH, NH2, Cl and CH3), European Journal of Theoretical and Applied Sciences, Volume (1), No (3), Year (2023-6), Pages (406-440)
  12. Hamid Zahedi , Mohamad Vakili , Clarifying the Vital Role of Fluid Type in Diffusion through Complex Porous Media under Apparently Weak but Essentially Powerful Force of Gravity by Simulations Performed Using Image Processing Technique and D3Q27 Model of Lattice Boltzmann Method, Microgravity Science and Technology, Volume (35), No (4), Year (2023-7)
  13. Mohamad Vakili , Vahidreza Darugar , Fadhil S. Kamounah , Poul Erik Hansen , Mathias Hermann , Michael Pittelkow , Tautomerism in pyridinyl methyl β-diketones in the liquid and the solid state; a combined computational and experimental study, Journal of Molecular Liquids, Volume (383), Year (2023-8), Pages (122074-122084)
  14. پاول اریک هنسن , Vahidreza Darugar , Mohamad Vakili , فدهیل اس کامونه , Tautomerism of pyridinylbutane‐1,3‐diones: An NMR and DFT study, Magnetic Resonance in Chemistry, Volume (61), No (6), Year (2023-3), Pages (356-362)
  15. Hamid Zahedi , Mohamad Vakili , The Computational Study of Fluid Diffusion through Complex Porous Media in the Presence of Gravitational Force and at Different Temperatures Using Image Processing Technique and D3Q27 Model of Lattice Boltzmann Method, Iranian Journal of Science and Technology-Transactions of Mechanical Engineering, Volume (47), No (4), Year (2023-12), Pages (1553-1570)
  16. Mohamad Vakili , رامش خیرآبادی , محمود اکبری , راضیه مراد , ملیک مزا , Computational studies of chalcogen doped on graphene vs. chalcogen doped on CNT and their role in the catalytic performance of electrochemical CO2 reduction, Materials Today Communications, Volume (35), Year (2023-6)
  17. ایوب کنعانی , محمود اکبری , Mohamad Vakili , راضیه مراد , داوود عاجلو , مالیک مزا , Transition metals doped ZnS nanocluster for carbon monoxide detection: A DFT study, Materials Today Communications, Volume (34), No (1), Year (2023-3), Pages (105491-105499)
  18. Vahidreza Darugar , Mohamad Vakili , Silvia Antonia Brandan , Shakiba Adli , Electronic transport on the two state “ON–OFF” of 1,3,3-trimethylindolino-6′-nitrobenzopyrylospiran as a light-driven molecular optical switch: A first-principle study, Journal of Molecular Graphics and Modelling, Volume (120), Year (2023-5)
  19. mahmoud bazrafshan , Mohamad Vakili , Sayyed Faramarz Tayyari , Fadhil S. Kamounah , Poul Erik Hansen , Ali Shiri , Synthesis, molecular structure, conformational, and intramolecular hydrogen bond strength of ethyl 3-amino-2-butenoate and its N-Me, N-Ph, and N-Bn analogs; An experimental and theoretical study, Journal of Molecular Structure, Volume (1274), No (1), Year (2023-2), Pages (134479-134489)
  20. Mohammad Eslahaliabadi , Mohamad Vakili , Ayoub Kanaani , Vahidreza Darugar , seyedabdollah seyedkatouli , First-principle study of the current–voltage on the β-diketones with alkyl and methoxy groups at the beta position as molecular switches, Chemical Physics Letters, Volume (809), Year (2022-12), Pages (140152-140158)
  21. Maliheh Khorramaki , mohammad abad , Vahidreza Darugar , Mehrdad Pourayoubi , Mohamad Vakili , Marek Necas , Duane Choquesillo-Lazarte , Pavel V. Andreev , Ekaterina S. Shchegravina , Competitor hydrogen-bond acceptors in the SP(NH)3-based structures: Comparison of structural features – Computational/database and experimental, Polyhedron, Volume (228), Year (2022-12), Pages (116157-116157)
  22. Ali Reza Berenji , Mohamad Vakili , Ayoub Kanaani , Valiollah Mandanipour , Seyedabdollah Seyedkatouli , First-principle study on the electronic transport properties of 1,2-bis(2,4-dimethyl-5-phenyl-3-thienyl)perfluorocyclopentene (a diarylethene) as an optical molecular switch, Journal of the Iranian Chemical Society, Volume (20), No (1), Year (2022-10), Pages (163-173)
  23. mahmoud bazrafshan , Mohamad Vakili , Sayyed Faramarz Tayyari , Fadhil S.Kamounah , Poul ErikHansen , Mohammad Reza Housaindokht , Vibrational spectra, conformation and molecular transport of 5-amino-2,2,6,6-tetramethyl-4-hepten-3-one, Journal of Molecular Structure, Volume (1272), Year (2022-9)
  24. Vahidreza Darugar , Mohamad Vakili , Maria E. Manzur , Silvia Antonia Brandan , Structural and vibrational investigation of Cis–Trans isomers of potent insecticide allethrin, Journal of Molecular Modeling, Volume (28), No (9), Year (2022-8)
  25. Faezeh Ahmadi , Mohamad Vakili , Vahidreza Darugar , Ali Reza Berenji , Authentication of potential energy distribution by VEDA in vibrational assignment some of copper (II) of β-diketone complexes, Journal of the Iranian Chemical Society, Volume (19), No (12), Year (2022-8), Pages (4659-4667)
  26. Vahidreza Darugar , Mohamad Vakili , Maryam Tahriri , Ali Reza Berenji , Reza Nekoei , Ayoub Kanaani , First-principle study on the conductance performance of Salicylidene Ethylamine molecular optical switch and its alkyl halide derivatives, Optical and Quantum Electronics, Volume (54), No (9), Year (2022-7)
  27. Vahidreza Darugar , Mohamad Vakili , Silvia Antonia Brandan , Electrical transport and NDR property on the cis–trans photo-isomerization of (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate as an optical molecular switch; A DFT-NEGF study, Chemical Physics Letters, Volume (803), Year (2022-9), Pages (139818-139826)
  28. , Mohamad Vakili , Razieh Morad , Malik Maaza , Computational modeling of the catalytic cycle of the di-chalcogenide compounds in the capture and release of carbon dioxide: effect of temperature and substitution on the catalytic activity, Journal of the Iranian Chemical Society, Volume (19), No (9), Year (2022-5), Pages (3963-3979)
  29. Raheleh Afzali , Mohamad Vakili , Electronic transport behavior of 4,6-bis(4-nitrophenyl)-2-phenyl-3,5-diaza-bicyclo[3.1.0]hex-2-ene (a bicyclic aziridine) as optical molecular switch: a first-principles approach, Journal of Computational Electronics, Volume (21), No (1), Year (2022-1), Pages (61-70)
  30. Poul Erik Hansen , Mohamad Vakili , Fadhil S. Kamounah , Jens Spanget-Larsen , NH Stretching Frequencies of Intramolecularly Hydrogen-Bonded Systems: An Experimental and Theoretical Study, Molecules, Volume (26), No (24), Year (2021-12), Pages (1-19)
  31. Mohamad Vakili , ramesh kheirabadi , Insight into the computational modeling and reaction mechanism of the catalytic cycle of benzyl-dichalcogenide compounds in capture and release of carbon dioxide, Molecular Catalysis, Volume (517), No (1), Year (2022-1), Pages (112045-112054)
  32. Mohamad Vakili , Elida Romano , Vahidreza Darugar , Silvia Antonia Brandan , Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations, Journal of Molecular Modeling, Volume (27), No (12), Year (2021-11)
  33. Nasrin Farbodnia , Mohamad Vakili , Ayoub Kanaani , A. Reaza Nekoei , Electronic transport behavior of 2-amino-4,5-bis(2,5-dimethylthiophen-3-yl)furan-3-carbonitrile (a diarylethene) as optical molecular switch: a first-principles approach, Theoretical Chemistry Accounts, Volume (140), No (10), Year (2021-9)
  34. Farzad Gandomi , Mohamad Vakili , Vahidreza Darugar , Reza Takjoo , Sayyed Faramarz Tayyari , Optimized molecular geometry, vibrational analysis, and Fe-O bond strength of Tris(α-cyanoacetylacetonate)iron(III):An experimental and theoretical study, Journal of Molecular Structure, Volume (1248), No (1), Year (2022-1), Pages (131444-131453)
  35. Farzad Gandomi , Mohamad Vakili , Reza Takjoo , Sayyed Faramarz Tayyari , Isomerism, molecular structure, and vibrational assignment of tris(triflouroacetylacetonato)iron(III): An experimental and theoretical study, Journal of Molecular Structure, Volume (1248), No (1), Year (2022-1), Pages (131347-131359)
  36. Mozhgan Mahmoudi Aval , Ali Nakhaei Pour , Mohamad Vakili , Sayyed Faramarz Tayyari , Conformational analysis, tautomerization, and vibrational spectra of methyl acetoacetate, Journal of the Iranian Chemical Society, Volume (19), No (4), Year (2021-8), Pages (1081-1094)
  37. ramesh kheirabadi , Mohamad Vakili , Computational modeling in enhanced CO2 and C2H2 capture on chalcogen atom (Se, Te)-decorated graphene: structural and mechanistic aspects, Journal of the Iranian Chemical Society, Volume (19), No (2), Year (2021-6), Pages (447-461)
  38. Vahidreza Darugar , Mohamad Vakili , Sayyed Faramarz Tayyari , Fadhil S. Kamounah , Validation of potential energy distribution by VEDA in vibrational assignment some of β-diketones; comparison of theoretical predictions and experimental vibration shifts upon deutration, Journal of Molecular Graphics and Modelling, Volume (107), No (1), Year (2021-9), Pages (107976-107982)
  39. ZAHRA SAYYAR , Mohamad Vakili , Ayoub Kanaani , Seyed Saman Vakili , Hossein Eshghi , Molecular structure, hydrogen bond strength, and infrared Fourier transform vibrational assignment of 2,6-dimethylheptane-3,5-dione, Journal of Molecular Structure, Volume (1243), No (1), Year (2021-11), Pages (130803-130814)
  40. Vahidreza Darugar , Mohamad Vakili , Sayyed Faramarz Tayyari , Molecular structure, intramolecular hydrogen bond strength, vibrational assignment, and spectroscopic insight of 4-phenylamino-3-penten-2-one and its derivatives: A theoretical and experimental study, Journal of Molecular Liquids, Volume (334), Year (2021-7), Pages (116035-116051)
  41. Vahidreza Darugar , Mohamad Vakili , Sayyed Faramarz Tayyari , Voltage–current behavior of 4-phenylamino-3-penten-2-one and its derivatives molecular switch: a first-principles study, Molecular Simulation, Volume (47), No (9), Year (2021-4), Pages (730-737)
  42. Vahidreza Darugar , Mohamad Vakili , Sayyed Faramarz Tayyari , Electronic transport behavior of 1-(Phenyldiazenyl)naphthalen-2-ol and its derivatives as optical molecular switches: A first-principles approach, Optik, Volume (236), Year (2021-6), Pages (166475-166483)
  43. Raheleh Afzali , Mohamad Vakili , Vahidreza Darugar , Isomerism, conformation, and structure of Bis(4,4-dimethyl-1-phenylpentane-1,3-dionato)copper(II); A theoretical and spectroscopy approach, Journal of Molecular Structure, Volume (1227), No (1), Year (2021-3), Pages (129711-129715)
  44. Ayoub Kanaani , Mohamad Vakili , Davood Ajloo , Electronic transport properties of 2-nIiitro-4-(6-(4-nitrophenyl)-4-phenyl-1,3-diaza-bicyclo[3.1.0]hex-3-en-2-yl)phenol: A light-driven molecular switch, Optik, Volume (219), Year (2020-10), Pages (165295-165302)
  45. ZAHRA SAYYAR , Mohamad Vakili , ایوب کنعانی , Hossein Eshghi , First-principles study of 2,6-dimethyl-3,5-heptanedione: a β-diketone molecular switch induced by hydrogen transfer, Journal of Computational Electronics, Volume (19), No (3), Year (2020-9), Pages (917-930)
  46. Mansoureh Rakhshanipour , Homa Jalali , Vahidreza Darugar , Hossein Eshghi , Mohamad Vakili , Synthesis, structure, tautomerism, intramolecular hydrogen bond, and vibrational assignment of 3-nitroso-2,4-pentanedione: A theoretical and experimental approach, Vibrational Spectroscopy, Volume (107), Year (2020-1), Pages (103036-103045)
  47. Samira Soltani Ghoshkhaneh , Mohamad Vakili , علیرضا برنجی , Vahidreza Darugar , Sayyed Faramarz Tayyari , Conformations, molecular structure, and N–H⋯O hydrogen bond strength in 4-Alkylamino-3-penten-2-ones, Journal of Molecular Structure, Volume (1203), No (1), Year (2020-3), Pages (127440-127449)
  48. سید مهدی موسوی نژاد , محراب مدهوشی , Mohamad Vakili , داوود رسولی , Evaluation of degradation in chemical compounds of wood in historical buildings using FT-IR and FT-Raman vibrational spectroscopy, Maderas: Ciencia y Tecnologia, Year (2019-1)
  49. seyedabdollah seyedkatouli , Mohamad Vakili , Current–voltage characteristics of β-ketoenamines molecular switches induced by intramolecular hydrogen transfer, Indian Journal of Physics, Volume (93), No (12), Year (2019-12), Pages (1527-1535)
  50. Samira Soltani Ghoshkhaneh , Mohamad Vakili , Sayyed Faramarz Tayyari , علیرضا برنجی , Vahidreza Darugar , Conformation, molecular structure, and vibrational assignment of bis(3,5-heptanedionato)copper(II), Journal of Molecular Structure, Volume (1197), Year (2019-12), Pages (443-449)
  51. Nazanin Beizaei , Sayyed Faramarz Tayyari , Mohamad Vakili , Safar Ali Beyramabadi , Quantum chemical study of the mechanism of the palladium-catalysed C−H acetoxylation of benzene, Progress In Reaction Kinetics And Mechanism, Volume (44), No (1), Year (2019-2), Pages (55-66)
  52. seyedabdollah seyedkatouli , Mohamad Vakili , Sayyed Faramarz Tayyari , Poul Erik Hansen , Fadhil S. Kamounah , Molecular structure and intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one and its NMe and N-Ph substitutions by experimental and theoretical methods, Journal of Molecular Structure, Volume (1184), No (1), Year (2019-5), Pages (233-245)
  53. Vahidreza Darugar , Mohamad Vakili , Sayyed Faramarz Tayyari , Fadhil Suleiman Kamounah , Raheleh Afzali , Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring of trifluorobenzoylacetone and 1-aryl-1,3-diketone malonates, European Journal of Chemistry, Volume (9), No (3), Year (2018-9), Pages (213-221)
  54. , Mohamad Vakili , , , Current–Voltage Characteristics of the Aziridine-Based Nano-Molecular Wires: a Light-Driven Molecular Switch, Chinese Physics Letters, Volume (35), No (4), Year (2018-4), Pages (48501-48501)
  55. Mohamad Vakili , Sayyed Faramarz Tayyari , Raheleh Afzali , Molecular structure, spectroscopic studies, and coppereoxygen bond strength of a-methyl and a-ethyl derivatives of copper (II) acetylacetonate; Experimental and theoretical approach, Journal of Molecular Structure, Volume (1160), Year (2018-2), Pages (107-116)
  56. be be amineh omidvar , Sayyed Faramarz Tayyari , Mohamad Vakili , A.R. Nekoei , Vibrational spectra, normal coordinate analysis, and hydrogen bond investigation of pyridinium perchlorate, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume (191), No (1), Year (2018-1), Pages (558-565)
  57. Vahidreza Darugar , Mohamad Vakili , Hossein Eshghi , Raheleh Afzali , Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone (A Theoretical and Experimental Study), Oriental Journal of Chemistry, Volume (33), No (5), Year (2017-10), Pages (2579-2590)
  58. Vahidreza Darugar , Mohamad Vakili , R. Afzali , Sayyed Faramarz Tayyari , Conventional and Unconventional Intramolecular Hydrogen Bonding in some Beta-diketones, Organic Chemistry Research, Volume (3), No (1), Year (2017-10), Pages (61-72)
  59. Vahidreza Darugar , Mohamad Vakili , A.R. Nekoei , Sayyed Faramarz Tayyari , R. Afzali , Tautomerism, molecular structure, intramolecular hydrogen bond, and enol-enol equilibrium of para halo substituted 4,4,4-trifluoro-1- phenyl-1,3-butanedione; Experimental and theoretical studies, Journal of Molecular Structure, Volume (1150), Year (2017-12), Pages (427-437)
  60. be be amineh omidvar , Sayyed Faramarz Tayyari , Mohamad Vakili , َAbdoreza Nekoei , Normal coordinate analysis of pyridine and its C2v 2H-isotopomers. A new approach, Journal of Molecular Structure, Volume (1151), No (1), Year (2018-1), Pages (236-244)
  61. Raheleh Afzali , Mohamad Vakili , elham boloori , Sayyed Faramarz Tayyari , A.-R. Nekoei , Mahnoosh Hakimitabar , Vahidreza Darugar , Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume (190), No (1), Year (2018-2), Pages (15-22)
  62. Mohamad Vakili , A. Sobhkhizi , Vahidreza Darugar , A. Kanaani , D. Ajloo , A first-principles study of aryloxyanthraquinone-based optical molecular switch, Chemical Physics Letters, Volume (686), No (1), Year (2017-10), Pages (140-147)
  63. Ayoub Kanaani , Davood Ajlooa , Hamzeh Kiyani , Mohamad Vakili , Mahnaz Farahani , Majid Amiri , Synthesis, Spectroscopic Investigations, and Computational Study of 4-((9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy)-3- methoxybenzaldehyde1, Optics and Spectroscopy, Volume (121), No (2), Year (2016-9), Pages (246-252)
  64. Ayoub Kanaania , Davood Ajloo , Hamzeh Kiyani , Hasan Ghasemian , Mohamad Vakili , Mina Feizabadi , Molecular structure, spectroscopic investigations and computational study on the potential molecular switch of (E)-1-(4-(2- hydroxybenzylideneamino)phenyl)ethanone, Molecular Physics, Volume (114), No (13), Year (2016-9), Pages (2081-2097)
  65. Gholamhossein Grivani , Mohamad Vakili , Aliakbar Dehno Khalaji , Giuseppe Bruno , Hadi Amiri Rudbari , Maedeh Taghavi , Synthesis, characterization, crystal structure determination and computational study of a new Cu(II) complex of bis [2-{(E)-[2- chloroethyl)imino]methyl}phenolato)] copper(II) Schiff base complex, Journal of Molecular Structure, Volume (1116), Year (2016-7), Pages (333-339)
  66. Farzad Gandomi , Mohamad Vakili , Sayyed Faramarz Tayyari , (Vibrational spectra, normal coordinate analysis, and conformation of bis(a-cyanoacetylacetonato) Cu(II, Journal of Molecular Structure, Volume (1118), No (1), Year (2016-4), Pages (68-74)
  67. Raheleh Afzali , Mohamad Vakili , Sayyed Faramarz Tayyari , Hossein Eshghi , Isomerism and Hydrogen Bonding in the Cis-enol Forms of 1-(n-pyridyl)butane-1,3-diones: A Theoretical Study, Organic Chemistry Research, Volume (2), No (1), Year (2016-3), Pages (43-56)
  68. Ayoub Kanaani , Davood Ajloo , Gholamhossein Grivani , Abbaseh Ghavami , Mohamad Vakili , Tautomeric stability, molecular structure, NBO, electronic and NMR analyses of salicylideneimino-ethylimino-pentan-2-one, Journal of Molecular Structure, Volume (1112), Year (2016-5), Pages (87-96)
  69. Fatemeh Dolati , Sayyed Faramarz Tayyari , Mohamad Vakili , Yan Wang , Proton transfer in acetylacetone and its alpha-halo derivatives, Physical Chemistry Chemical Physics, Volume (18), No (1), Year (2016-1), Pages (344-350)
  70. Samira Soltani Ghoshkhaneh , Mohamad Vakili , Sayyed Faramarz Tayyari , Ali Reza Berenji , Normal coordinate analysis, hydrogen bonding, and conformation analysis of heptane-3,5-dione, Journal of Molecular Structure, Volume (1103), No (1), Year (2016-1), Pages (35-44)
  71. Fatemeh Dolati , Sayyed Faramarz Tayyari , Mohamad Vakili , Ali Ebrahimi , Vibrational spectra of a-bromo and a-chloro derivatives of tris(acetylacetonato)chromium(III, Journal of Molecular Structure, Volume (1103), No (1), Year (2016-1), Pages (1-8)
  72. Fatemeh Dolati , Mohamad Vakili , Ali Ebrahimi , Sayyed Faramarz Tayyari , Vibrational spectra of tris(acetylacetonato)chromium(III), Journal of Molecular Structure, Volume (1099), No (1), Year (2015-7), Pages (340-347)
  73. Seied Ali Pourmousavi , Ayoub Kanaani , Fatemeh Ghorbani , Kobra Khorsi Damghani , Davood Ajloo , Mohamad Vakili , Synthesis, spectroscopic investigations and computational study of monomeric and dimeric structures of 2-methyl-4-quinolinol, Research on Chemical Intermediates, Volume (42), No (2), Year (2016-1), Pages (1237-1274)
  74. Fatemeh Dolati , Sayyed Faramarz Tayyari , Mohamad Vakili , Tautomerism, conformational analysis, and spectroscopy studies of 3-bromo-pentane-2,4-dione, Journal of Molecular Structure, Volume (1094), Year (2015-8), Pages (264-273)
  75. Gholamhossein Grivani , Sara Husseinzadeh Baghan , Mohamad Vakili , Aliakbar Dehno Khalaji , Vida Tahmasebi , Václav Eigner , Michal Dušek , A new copper(II) Schiff base complex containing asymmetrical tetradentate N2O2 Schiff base ligand: Synthesis, characterization, crystal structure and DFT study, Journal of Molecular Structure, Volume (1082), Year (2015-1), Pages (91-96)
  76. Ayoub Kanaani , Davood Ajloo , Hasan Ghasemian , Hamzeh Kiyani , Mohamad Vakili , Asiyeh Mosallanezhad , Synthesis, molecular structure, spectroscopic investigations and computational studies of (E)-1-(4-(4-(diethylamino)-2- hydroxybenzylideneamino)phenyl)ethanone, Structural Chemistry, Volume (1), No (1), Year (2015-2), Pages (1-19)
  77. Mohamad Vakili , Sayyed Faramarz Tayyari , Raheleh Afzali , Conformation, molecular structure, and vibrational assignment of bis(2,2,6,6-tetramethylheptane-3,5-dionato)copper(II), Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume (136), Year (2015-3), Pages (1827-1833)
  78. Hamzeh Kiyani , Ayub Kanaani , Davood Ajloo , Fatemeh Ghorbani , Mohamad Vakili , N-bromosuccinimide (NBS)-promoted, threecomponent synthesis of a,b-unsaturated isoxazol-5(4H)- ones, and spectroscopic investigation and computational study of 3-methyl-4-(thiophen-2-ylmethylene)isoxazol- 5(4H)-one, Research on Chemical Intermediates, Year (2014-11)
  79. Raheleh Afzali , Mohamad Vakili , A.-R. Nekoei , Sayyed Faramarz Tayyari , Intramolecular hydrogen bonding and vibrational assignment of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione, Journal of Molecular Structure, Volume (1076), Year (2014-12), Pages (262-271)
  80. Sayyed Faramarz Tayyari , Mohamad Vakili , Fariba Tayyari , Vibrational assignment of calcium acetylacetonate, Journal of Spectroscopy and Dynamics, Volume (6), No (5), Year (2015-2), Pages (1-5)
  81. A.-R. Nekoei , Sayyed Faramarz Tayyari , Mohamad Vakili , Very strong intramolecular hydrogen bonding of 1,2-dithenoylcyclopentadiene; DFT and spectroscopic studies, Journal of Molecular Structure, Volume (1075), Year (2014-10), Pages (85-95)
  82. Gholamhossein Grivani , Mohamad Vakili , Aliakbar Dehno Khalaji , Giuseppe Bruno , Hadi Amiri Rudbari , Maedeh Taghavi , Vida Tahmasebi , Synthesis, characterization, crystal structure determination, computational study, and thermal decomposition into NiO nano-particles of a new NiIIL2 Schiff base complex (L = 2-{(E)-[2-chloroethyl)imino]methylphenolate), Journal of Molecular Structure, Volume (1072), Year (2014-8), Pages (77-83)
  83. A.-R. Nekoei , Mohamad Vakili , Mahnoosh Hakimitabar , Sayyed Faramarz Tayyari , Raheleh Afzali , H.G. Kjaergaard , Theoretical study, and infrared and Raman spectra of copper(II) chelated complex with dibenzoylmethane, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume (128), Year (2014-7), Pages (272-279)
  84. Sayyed Faramarz Tayyari , ABDO-REZA NEKOEI , Mohamad Vakili , MASOUD HASSANPOUR , YAN ALEXANDER WANG , Molecular Structure, and Intramolecular Hydrogen Bonding of Thenoyltrifluoroacetone, Journal of Theoretical and Computational Chemistry, Volume (5), No (3), Year (2006-5), Pages (647-664)
  85. Sayyed Faramarz Tayyari , Mohamad Vakili , Abdo-Reza Nekoei , Hedayat Rahemi , Yan Alexander Wang , Vibrational assignment and structure of trifluorobenzoylacetone: A density functional theoretical study, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume (66), Year (2007-3), Pages (626-636)
  86. Hossein Eshghi , Mehdi Bakavoli , javad abedini torghabeh , Mohammad Rahimizadeh , Mohamad Vakili , A facile one-pot synthesis of functionalized fused benzochromene derivatives via intramolecular Wittig reactions, Research on Chemical Intermediates, Volume (41), No (6), Year (2015-6), Pages (3359-3366)
  87. Hossein Eshghi , sara momenkakeri , Mostafa Gholizadeh , Mohamad Vakili , Caesium iodide as an efficient catalyst for synthesis of N‑substituted azepines via tandem Michael addition and cyclisation under aqueous conditions, Journal of Chemical Research, Volume (37), No (12), Year (2013-12), Pages (724-726)
  88. Mohamad Vakili , Sayyed Faramarz Tayyari , Mahnoosh Hakimitabar , Abdo-Reza Nekoei , Saeideh Kadkhodaei , Structure and vibrational assignment of bis(benzoylacetonato)copper(II), Journal of Molecular Structure, Volume (1058), Year (2014-1), Pages (308-317)
  89. Mohamad Vakili , Hossein Eshghi , meysam raeisian , Raheleh Afzali , Ali Reza Berenji , Hadi Behzadi , Structure and isomeric studies of 1,3-diaryl-H-benzo[f]chromene, catalyst effect or thermodynamic stability? An ab initio study, Iranian Journal of Catalysis, Volume (3), No (3), Year (2013-9), Pages (139-147)
  90. Mohamad Vakili , A. R. Nekoei , Sayyed Faramarz Tayyari , A. Kanaani , N. Sanati , Conformation, molecular structure, and intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione, Journal of Molecular Structure, Volume (1021), Year (2012-8), Pages (102-111)
  91. Mohamad Vakili , Raheleh Afzali , Sayyed Faramarz Tayyari , Vibrational assignment and structure of N-phenylthiobenzamide - A DFT approach, Journal of Spectroscopy and Dynamics, Volume (3), No (15), Year (2013-1), Pages (1-9)
  92. Raheleh Afzali , Mohamad Vakili , Sayyed Faramarz Tayyari , Hossein Eshghi , A.-R. Nekoei , Conformational analysis, intramolecular hydrogen bonding, and vibrational assignment of 4,4-dimethyl-1-phenylpentane-1,3-dione, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume (117), Year (2014-1), Pages (284-298)
  93. Sayyed Faramarz Tayyari , Somayeh Laleh , Mansoureh Zahedi-Tabrizi , Mohamad Vakili , Theoretical and spectroscopic studies on molecular structure and hydrogen bonding of 1,2-bis (monochloroacetyl) cyclopentadiene, Journal of Molecular Structure, Volume (1038), Year (2013-1), Pages (177-187)
  94. Ali Reza Berenji , Sayyed Faramarz Tayyari , Mohammad Rahimizadeh , Hossein Eshghi , Mohamad Vakili , Ali Shiri , Structure and vibrational analysis of methyl 3-amino-2-butenoate, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume (102), No (1), Year (2013-2), Pages (350-357)
  95. Sayyed Faramarz Tayyari , Somayeh Laleh , Mansoureh Zahedi-Tabrizi , Mohamad Vakili , Structure, vibrational assignment, and NMR spectroscopy of 1,2-bis (dichloroacetyl) cyclopentadiene, Journal of Molecular Structure, Volume (1036), Year (2013-3), Pages (151-160)
  96. Hossein Eshghi , Seyed Mohammad Seyedi , Elham safaei , Mohamad Vakili , Abolghasem Farhadipour , mohtaram bayat mokhtary , Silica supported Fe(HSO4)3 as an efficient, heterogeneous and recyclable catalyst for synthesis of -enaminones and -enamino esters, Journal of Molecular Catalysis A: Chemical, Volume (363), No (127), Year (2012-11), Pages (430-436)
  97. Mohamad Vakili , Sayyed Faramarz Tayyari , A. Kanaani , A.-R. Nekoei , S. Salemi , H. Miremad , Ali Reza Berenji , R.E. Sammelson , Conformational stability, molecular structure, intramolecular hydrogen bonding, and vibrational spectra of 5,5-dimethylhexane-2,4-dione, Journal of Molecular Structure, Volume (998), No (1), Year (2011-7), Pages (99-109)
  98. Hossein Eshghi , Gholamhossein Zohuri , , Mohamad Vakili , Efficient one-pot synthesis of 1,3-diaryl-3H-benzo[f]chromenes using ferric hydrogensulfate, Chinese Chemical Letters, Volume (21), No (12), Year (2010-12), Pages (1423-1426)
  99. Mohamad Vakili , Sayyed Faramarz Tayyari , A.R. Nekoei , H. Miremad , S. Salemi , R.E. Sammelson , Structure, intramolecular hydrogen bonding, and vibrational spectraof 2,2,6,6-tetramethyl-3,5-heptanedione, Journal of Molecular Structure, Volume (970), No (1), Year (2010-4), Pages (160-170)
  100. Abdo-Reza Nekoei , Sayyed Faramarz Tayyari , Mohamad Vakili , Soheila Holakoei , Amir Hossein Hamidian , Robert Erik Sammelson , Conformation and vibrational spectra and assignment of 2-thenoyltrifluoroacetone, Journal of Molecular Structure, Volume (932), No (127), Year (2009-6), Pages (112-122)
  101. Sayyed Faramarz Tayyari , Jalal ShakhsEmampour , Mohamad Vakili , Abdo Reza Nekoei , Hossein Eshghi , S. Salemi , M. Hassanpour , Vibrational assignment and structure of benzoylacetone: A density functional theoretical study, Journal of Molecular Structure, Volume (794), No (1), Year (2006-8), Pages (204-214)

مقالات ارایه شده در کنفرانس

فارسی

  1. سید مهدی موسوی نژاد , محراب مدهوشی , محمد وکیلی , داود رسولی , کاربرد طیف سنجی ارتعاشی (Raman-Mid IR) در شناسایی گونه های سوزنی برگ و پهنبرگ , همایش علمی پژوهشی کشاورزی، مهندسسی ژنتیک و گیاه پزشکی ایران , 2016-08-15
  2. زهرا سیار , محمد وکیلی , ICT در آموزش (درس شیمی و آزمایشگاه) , نهمین کنفرانس آموزش شیمی ایران , 2016-08-27
  3. بی بی امینه امیدوار , سیدفرامرز طیاری , محمد وکیلی , The effect of bromination and media on the hydrogen bond strength of pyridinium perchlorate , دوازدهمین همایش ملی شیمی پیام نور , 2015-05-13
  4. راهله افضلی , محمد وکیلی , Nature of substituent effects on intramolecular hydrogen bonding of 3-amino-1- phenyl-2-buten-1-one derivatives by density functional theory (DFT) calculations and NMR spectroscopy , دوازدهمین همایش ملی شیمی پیام نور , 2015-05-13
  5. راهله افضلی , محمد وکیلی , Theoretical and spectroscopic study on intramolecular hydrogen bonding of 4- amino-3-penten-2-one derivatives , دوازدهمین همایش ملی شیمی پیام نور , 2015-05-13
  6. الهام بلوری , محمد وکیلی , سیدفرامرز طیاری , بررسی ساختارو وقذرت پیونذ فلز با لیگانذ کمپلکس آلومینیوم تری فلوئورو استیل استونات با استفاده از نظریه DFT , Ist National Chemistry Conference , 2011-11-23
  7. مهنوش حکیمی تبار , محمد وکیلی , سیدفرامرز طیاری , مینا جامی الاحمدی , علی رضا برنجی , بررسی ساختار وطیف ارتعاشی نظری مس (II)دی بنزوئیل متان با استفاده ازنظریه تابعی چگال , Ist National Chemistry Conference , 2011-11-23

انگلیسی

  1. Mohammad Eslahaliabadi , Mohamad Vakili , ایوب کنعانی , The I–V characteristics of methyl 3-oxobutanoate as molecular switch , 23rd ICS Physical Chemistry Conference , 2022-01-11
  2. Mohammad Eslahaliabadi , Mohamad Vakili , ایوب کنعانی , وحیدرضا داروگر , The effect of electrode materials on I–V characteristics behavior of 2,2,6,6-tetramethyl-3,5-heptanedione (a β-diketone) as molecular switch , 23rd ICS Physical Chemistry Conference , 2022-01-11
  3. Faezeh Ahmadi , Mohamad Vakili , وحیدرضا داروگر , Metal-ligand bond strength in symmetric of Copper (II) β-diketone complexes by UV and TD-DFT approaches , 23rd ICS Physical Chemistry Conference , 2022-01-12
  4. Faezeh Ahmadi , Mohamad Vakili , وحیدرضا داروگر , Validation of potential energy distribution by VEDA in vibrational assignment some of Copper (II) complexes with β-diketone ligands , 23rd ICS Physical Chemistry Conference , 2022-01-12
  5. Azam Roohi , Mohammad Reza Housaindokht , Mohamad Vakili , The investigation of the effect of N-glycans on the structure of Trametes versicolor laccase by Molecular dynamics simulation , 8thInternational E-congress on Nanosciences and Nanotechnology(ICNN 2021) , 2020-02-17
  6. Hadi zare yousefkhani , Mohamad Vakili , The theoretical conceptual investigation of intramolecular hydrogen bond strength in the O-H…O=C systems , هشتمین کنفرانس شیمی محاسباتی , 2019-02-27
  7. Hadi zare yousefkhani , Mohamad Vakili , Vahidreza Darugar , Estimating the intramolecular hydrogen bonds strength in the O-H…O=C systems using experimental 1H NMR results and QTAIM calculations , هشتمین کنفرانس شیمی محاسباتی , 2019-02-27
  8. Mahnoosh Hakimitabar , ramesh kheirabadi , Mohamad Vakili , DFT studies on the Structure and metal-ligand bond strength in bis (trifluoroacetylacetonato)copper (II , اولین کنفرانس ملی شیمی کاربردی و نانوشیمی , 2018-11-14
  9. Amir Basiri , Mohamad Vakili , , The I–V Characteristics of acetylacetone Nano-Molecular Wire Induced by Hydrogen Transfer , اولین کنفرانس ملی شیمی کاربردی و نانوشیمی , 2018-11-15
  10. , Samira Soltani Ghoshkhaneh , Mohamad Vakili , Sayyed Faramarz Tayyari , Structure and vibrational analysis of copper (II) heptane-3,5-dione , بیستمین کنگره شیمی ایران , 2018-07-17
  11. ZAHRA SAYYAR , Mohamad Vakili , A. Kanaani , Hossein Eshghi , The I–V Characteristics of dimethyl 3,5-heptane Nano-Molecular Wire Induced by Hydrogen Transfer , بیستمین کنگره شیمی ایران , 2018-07-17
  12. Vahidreza Darugar , Mohamad Vakili , Sayyed Faramarz Tayyari , Tautomeric Equilibria Studies by UV-Vis Spectroscopy in β-diketones , بیستمین کنگره شیمی ایران , 2018-07-17
  13. Vahidreza Darugar , Mohamad Vakili , MONIR AFKANPOOR DEHBARZOUEI , Sayyed Faramarz Tayyari , Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring in some β-diketones and schiff bases , بیستمین کنگره شیمی ایران , 2018-07-17
  14. Mahnoosh Hakimitabar , R. Afzali , Mohamad Vakili , DFT studies on the structure and intramolecular hydrogen bond strength in 1, 2-dibenzoylcyclopentadiene , بیستمین کنگره شیمی ایران , 2018-07-17
  15. mahmoud bazrafshan , Mohamad Vakili , Conformational stability, molecular structure, and intramolecular hydrogen bond of 2,2-dimethyl-5-amino-4-hexen-3-one , بیستمین کنگره شیمی ایران , 2018-07-17
  16. Mohamad Vakili , seyedabdollah seyedkatouli , Intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one, an experimental approach , بیستمین کنگره شیمی ایران , 2018-07-17
  17. Mohamad Vakili , seyedabdollah seyedkatouli , Tautomerism, molecular structure, intramolecular hydrogen bond, and tautomery equilibrium of α-methyl and ethyl substituted 4-amino-3-penten-2-one; A theoretical study , بیستمین کنگره شیمی ایران , 2018-07-17
  18. seyedabdollah seyedkatouli , Mohamad Vakili , Sayyed Faramarz Tayyari , Vibrational assignment and the effect of -methyl and ethyl substitutions on the Cu-O strength in bis-(3-alkylpentane-2,4-dionato)copper(II); An experimental and DFT study , XIVth International Conference on Molecular Spectroscopy , 2017-09-03
  19. MONIR AFKANPOOR DEHBARZOUEI , Vahidreza Darugar , G. Grivani , Mohamad Vakili , Intramolecular hydrogen bond strength in three stable conformers of 2-(((1-phenylethyl) imino) methyl)phenol and itshalogen substitutions, as a Schiff base with chiral carbon; A theoretical study , بیستمین کنفرانس شیمی فیزیک ایران , 2017-08-20
  20. MONIR AFKANPOOR DEHBARZOUEI , Mohamad Vakili , G. Grivani , Sayyed Faramarz Tayyari , Conformational analysis of 2-(((1-phenylethyl)imino)methyl)phenol and its halogen substitutions, as a Schiff base with chiral carbon, A DFT study , بیستمین کنفرانس شیمی فیزیک ایران , 2017-08-20
  21. Ali Reza Berenji , Sayyed Faramarz Tayyari , Mohamad Vakili , Samira Soltani Ghoshkhaneh , Structure, vibrational analysisi and intramolecular hydrogen bond strength of some 4-amino-3-penten-2-one derivatives , 9th Euro-Mediterranean Symposium on LIBS / Pisa , 2017-06-11
  22. Vahidreza Darugar , Fatemeh Dolati , Sayyed Faramarz Tayyari , Mohamad Vakili , Structure and geometry of Tetrakis(thiourea) platinum(II) and its guanine substituted complexes, Anticancer compounds , هجدهمین کنفرانس شیمی معدنی ایران , 2017-03-07
  23. - - , Vahidreza Darugar , Mohamad Vakili , Mohammad Reza Housaindokht , Conformational stability, and intramolecular hydrogen bonding of Ribose; A DFT calculations , هجدهمین کنفرانس شیمی معدنی ایران , 2017-03-07
  24. Vahidreza Darugar , Mohamad Vakili , راهله افضلی , The Cu-O strength of Copper (II) X-benzoylacetonate, X=Cland F; by DFT calculations , هجدهمین کنفرانس شیمی معدنی ایران , 2017-03-07
  25. علیرضا برنجی , Samira Soltani Ghoshkhaneh , Mohamad Vakili , Conformational Analysis and Intramolecular Hydrogen Bonding in 4-Butylmino-3-Penten-2-One , نوزدهمین کنگره شیمی ایران , 2017-02-20
  26. Mahnoosh Hakimitabar , Mohamad Vakili , راهله افضلی , Structure and hydrogen bond strength of the enol form of Furoylacethylacetone , نوزدهمین کنگره شیمی ایران , 2017-02-20
  27. Vahidreza Darugar , Mohamad Vakili , راهله افضلی , Tautomerization and intramolecular hydrogen bond strength of 1-(4- Chlorophenyl)-4,4,4-trifluorobutane-1,3-dione by quantum calculations and experimental spectroscopy , نوزدهمین کنگره شیمی ایران , 2017-02-20
  28. Mohamad Vakili , Vahidreza Darugar , The effect of different Substitutions on the equilibrium constant of 1-Phenyl-1,3- butanedione , نوزدهمین کنگره شیمی ایران , 2017-02-20
  29. Samira Soltani Ghoshkhaneh , Mohamad Vakili , Sayyed Faramarz Tayyari , Ali Reza Berenji , CONFORMATIONAL ANALYSIS AND INTRAMOLECULAR HYDROGEN BONDING IN HEPTANE-3-AMINO-5-ONE , 18th Iranian Physical Chemistry Conference , 2016-03-05
  30. be be amineh omidvar , Mohamad Vakili , Sayyed Faramarz Tayyari , PROTON TUNNELING IN PYRIDINE-PYRIDININIUM AND ITS 2-AMINO AND 2-AMINO-4-METHYL DERIVATIVES COMPLEXES , 18th Iranian Physical Chemistry Conference , 2016-03-05
  31. be be amineh omidvar , Mohamad Vakili , Sayyed Faramarz Tayyari , NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES , 18th Iranian Physical Chemistry Conference , 2016-03-05
  32. Mohamad Vakili , Raheleh Afzali , Mahnoosh Hakimitabar , Study of the intramolecular hydrogen bonding of some α-cyano-1,3–diketones by using AIM and NBO calculations , 18th Iranian Physical Chemistry Conference , 2016-03-05
  33. Mohamad Vakili , Raheleh Afzali , Theoretical investigation of 1,3-Di(n-pyridyl)-1,3-propanediones , 18th Iranian Physical Chemistry Conference , 2016-03-05
  34. Mohamad Vakili , The effect of unconventional hydrogen bonding in the stability of keto forms of 2-Bromo-1,3-diphenylpropane-1,3-dione , 18th Iranian Physical Chemistry Conference , 2016-03-05
  35. Mohamad Vakili , Tautomerization in the some of α-bromo-β-Diketones , 13YOUNGCHEM , 2015-10-07
  36. Fatemeh Dolati , Mohamad Vakili , Z. Dolati , M. Mahmoodi , S. Jodeir , Adsorption of CCl4 on Armchair Single-Walled Carbon Nanotubes and Graphene Sheet , 17th Iranian Physical Chemistry Conference , 2014-10-21
  37. Ali Reza Berenji , Elnaz Milani , Reza Karazhian , Arash Koocheki , Mohsen Samiee , Mohamad Vakili , Vibrational spectra of Ocimum basilicum L. seed gum , 1st International Conference on Natural Food Hydrocolloids, Mashhad, Iran, , 2014-10-23
  38. Mohamad Vakili , fatemeh bagheryan , عبدالرضا نکوئی , Vibrational assignment and structure of Vanadyl acetoacetonate , 15th Iranian Physical Chemistry Conference , 2012-09-03
  39. Mohamad Vakili , mohtaram bayat mokhtary , Raheleh Afzali , Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions , 15th Iranian Physical Chemistry Conference , 2012-09-03
  40. Mohamad Vakili , Mahnoosh Hakimitabar , Ali Reza Berenji , Raheleh Afzali , The effect of phenyl substitutions on the structure and metal- ligand bond strength of copper acetylacetonate. A DFT study. , 15th Iranian Physical Chemistry Seminar , 2012-09-03
  41. Ali Reza Berenji , Sayyed Faramarz Tayyari , Mohamad Vakili , Conformational analysis and intramolecular hydrogen bond strength of methyl 3-aminocrotonate , 16th Iranian Physical Chemistry Conference , 2013-10-29
  42. 14- B. Maleki , Mohamad Vakili , H. Salehabadi , H. K. Shirvan , N-Bromosuccinimide or 1,3-di(chloro or bromo)-5,5-dimethylhydantoin: as a mild and efficient catalyst for the synthesis of 2-arylbenzothiazoles and 2,4,5-triaryl-lH-imidazoles from aromatic aldehydes , 17th Iranian Seminar of Organic Chemistry , 2010-10-13
  43. Mohamad Vakili , A-R. Nekoei , S. F. Tayyari , Comparision the intramolecular hydrogen bond of BA and DBM with AA. , 9th Iranian Physical Chemistry Seminar , 2006-06-13
  44. Mohamad Vakili , S. Salemi , Effect of t-butyl substitutions in β position on the enol-keto equilibrium and intramolecular hydrogen bond strength of β-dicarbonyl: A vibrational spectroscopy and DFT study , Young Chem 2010 , 2010-10-05
  45. meysam raeisian , Mohamad Vakili , Hossein Eshghi , H. Behzadi , The structure study of 1,3-diaryl-3H-benzo[f]chromenes , 18th Iranian Seminar of Organic Chemistry , 2012-03-07
  46. Ali Reza Berenji , Sayyed Faramarz Tayyari , Mohamad Vakili , Mina Jamialahmadi , Structure And Vibrational Analysis Of Ethyl 3-Amino-2-Butenoate , 44th World Chemistry Congress , 2013-08-11
  47. F. Tayyari , S. F. Tayyari , T. Bakhshi , Mohamad Vakili , Ali Reza Berenji , Metal-Ligand Bond Vibrations In Alkaline Earth Metal Acetylacetonates , 44th World Chemistry Congress , 2013-08-11
  48. Mohamad Vakili , Fatemeh Dolati , Mahmood Amini , E.Fatehyan , Formation constant calculations comparison with experimental researches on ferrocene-containing β-diketones , 19th iranian seminar of analytical chemistry , 2013-02-26
  49. N. Sanati , A-R. Nekoei , Mohamad Vakili , A. Kanaani , Molecular structure and intramolecular hydrogen bonding of 1,1,1- trifluoro-5,5-dimethyl-2,4-hexanedione. A DFT study (Part I) , 14th Iranian Physical Chemistry Conference , 2011-02-28
  50. A. Kanaani , Z. Hajian , A-R. Nekoei , Mohamad Vakili , Molecular structure and intramolecular hydrogen bonding of Heptane-3,5-dione. A DFT study , 14th Iranian Physical Chemistry Conference , 2011-02-25
  51. Mohamad Vakili , Mahnoosh Hakimitabar , Mina Jamialahmadi , Ali Reza Berenji , Structure and vibrational assignment of bis(benzoylacetone)copper(II) , 15th Iranian Chemistry Congress , 2011-09-04
  52. Mohamad Vakili , A-R. Nekoei , B. Maleki , Structure of 2,4,5-triphenyl-1H-Imidazole and the substitution effect of F, Cl, and OH groups in para position of 2-Ph ring; A DFT study , 15th Iranian Chemistry Congress , 2011-09-04
  53. Mohamad Vakili , Cis-enol conformers and intramolecular hydrogen bond strength of 2,6-Dimethyl-3,5-heptanedione , 13th Iranian Physical Chemistry Conference , 2010-04-12
  54. Mohamad Vakili , Conformation, Structure, Intramolecular H-bonding, and Vibrational Assignment of 1-(2-thienyl)-4,4,4-trifluorobutane-1,3-dione , 13th Iranian Physical Chemistry Conference , 2010-04-12
  55. Mohamad Vakili , Cis-enol conformational stability, Molecular structure, and intramolecular hydrogen bonding of 5,5-Dimethyl hexane-2,4 dione. A density functional theoretical study , 13th Iranian Physical Chemistry Conference , 2010-04-12
  56. Mohamad Vakili , Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione , 13th Iranian Physical Chemistry Conference , 2010-04-12
  57. Mohamad Vakili , INTRAMOLECULAR HYDROGEN BONDING AND KETO CONTENT IN α-HALO SUBSTITUTED 1,1,1-TRIFLUORO -5,5-DIMETHYL-2,4-HEXANDIONE , 14th Asian Chemical Congress 2011 , 2011-09-05
  58. Mohamad Vakili , KETO CONTENT AND INTRAMOLECULAR HYDROGEN BOND IN SOME β-DICARBONYLS , 14th Asian Chemical Congress 2011 , 2011-09-05
  59. Mahnoosh Hakimitabar , - - , Raheleh Afzali , Mohamad Vakili , Sayyed Faramarz Tayyari , Mina Jamialahmadi , The formation constants determination of α-formyl acetylacetonate complex by pH-metric titration , 19th Iranian Seminar of Analytical Chemistry , 2013-02-26
  60. Raheleh Afzali , Mohamad Vakili , Hossein Eshghi , Mahnoosh Hakimitabar , Sayyed Faramarz Tayyari , The theoretical and experimental 1H NMR study of some beta-diketones (A DFT calculation , 19th Iranian Seminar of Analytical Chemistry , 2013-02-26
  61. Mina Jamialahmadi , Sayyed Faramarz Tayyari , Mohamad Vakili , Ali Reza Berenji , Synthesis, structure, UV-visible spectrum, and formation constant of bis (3-amino-1-phenyl-2-buten-1-onato)copper (II) and comparison with bis (4-aminopent-3-en-2-onato) copper (II , 19th Iranian Seminar of Analytical Chemistry , 2013-02-26
  62. Mohamad Vakili , A-R. Nekoei , A. Kanaani , Sayyed Faramarz Tayyari , Intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4- hexanedione. A vibrational spectroscopic study (Part II) , 14th Iranian Physical Chemistry Conference , 2011-02-25
  63. A-R. Nekoei , Mohamad Vakili , Sayyed Faramarz Tayyari , S. Salemi , Resonance assisted intramolecular hydrogen bonding of 6-hydroxy-6-(2-thienyl)-2-thenoylfulvene , 14th Iranian Physical Chemistry Conference , 2011-02-25
  64. Ali Reza Berenji , Sayyed Faramarz Tayyari , Mohammad Rahimizadeh , Hossein Eshghi , Mohamad Vakili , Ali Shiri , Structure and vibrational spectra of methyl 3-(methylamino)-2-Butenoate. A density functional theoretical study , 15th Iranian Chemistry Congress , 2011-09-04
  65. Fatemeh Dolati , Roshanak Salari , Sayyed Faramarz Tayyari , Mohamad Vakili , Omid Rajabi , IR and Raman spectrophotometric studies on the effects of pH and temperature on structural stability of human serum albumin(HSA) , 15th Iranian Chemistry Congress , 2011-09-04
  66. Mohamad Vakili , Fatemeh Dolati , Sayyed Faramarz Tayyari , Omid Rajabi , Roshanak Salari , Structure and conformation of lidocaine and Prilocaine. A DFT study , 15th Iranian Chemistry Congress , 2011-09-04