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نویسنده: Mohamad Vakili


موارد یافت شده: 128

1 - Evaluation of degradation in chemical compounds of wood in historical buildings using FT-IR and FT-Raman vibrational spectroscopy (چکیده)
2 - Current–voltage characteristics of β-ketoenamines molecular switches induced by intramolecular hydrogen transfer (چکیده)
3 - مطالعه نظری و تجربی تاتومری مشتقات هالوژنه پارا تری فلوئوروبنزوئیل استون به کمک نظریه تابعی - چگالی و طیف سنجی ارتعاشی (چکیده)
4 - Conformation, molecular structure, and vibrational assignment of bis(3,5-heptanedionato)copper(II) (چکیده)
5 - Quantum chemical study of the mechanism of the palladium-catalysed C−H acetoxylation of benzene (چکیده)
6 - The theoretical conceptual investigation of intramolecular hydrogen bond strength in the O-H…O=C systems (چکیده)
7 - Estimating the intramolecular hydrogen bonds strength in the O-H…O=C systems using experimental 1H NMR results and QTAIM calculations (چکیده)
8 - 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 (چکیده)
9 - DFT studies on the Structure and metal-ligand bond strength in bis (trifluoroacetylacetonato)copper (II (چکیده)
10 - The I–V Characteristics of acetylacetone Nano-Molecular Wire Induced by Hydrogen Transfer (چکیده)
11 - Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring of trifluorobenzoylacetone and 1-aryl-1,3-diketone malonates (چکیده)
12 - Structure and vibrational analysis of copper (II) heptane-3,5-dione (چکیده)
13 - The I–V Characteristics of dimethyl 3,5-heptane Nano-Molecular Wire Induced by Hydrogen Transfer (چکیده)
14 - Tautomeric Equilibria Studies by UV-Vis Spectroscopy in β-diketones (چکیده)
15 - Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring in some β-diketones and schiff bases (چکیده)
16 - DFT studies on the structure and intramolecular hydrogen bond strength in 1, 2-dibenzoylcyclopentadiene (چکیده)
17 - Conformational stability, molecular structure, and intramolecular hydrogen bond of 2,2-dimethyl-5-amino-4-hexen-3-one (چکیده)
18 - Intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one, an experimental approach (چکیده)
19 - Tautomerism, molecular structure, intramolecular hydrogen bond, and tautomery equilibrium of α-methyl and ethyl substituted 4-amino-3-penten-2-one; A theoretical study (چکیده)
20 - Current–Voltage Characteristics of the Aziridine-Based Nano-Molecular Wires: a Light-Driven Molecular Switch (چکیده)
21 - Molecular structure, spectroscopic studies, and coppereoxygen bond strength of a-methyl and a-ethyl derivatives of copper (II) acetylacetonate; Experimental and theoretical approach (چکیده)
22 - Vibrational spectra, normal coordinate analysis, and hydrogen bond investigation of pyridinium perchlorate (چکیده)
23 - Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone (A Theoretical and Experimental Study) (چکیده)
24 - تاتومری و قدرت پیوند هیدروژنی درون مولکولی پارا کلر بنزوئیل استون بوسیله محاسبات کوانتومی - و نتایج طیف سنجی (چکیده)
25 - Conventional and Unconventional Intramolecular Hydrogen Bonding in some Beta-diketones (چکیده)
26 - 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 (چکیده)
27 - 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 (چکیده)
28 - Normal coordinate analysis of pyridine and its C2v 2H-isotopomers. A new approach (چکیده)
29 - Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study (چکیده)
30 - 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 (چکیده)
31 - Conformational analysis of 2-(((1-phenylethyl)imino)methyl)phenol and its halogen substitutions, as a Schiff base with chiral carbon, A DFT study (چکیده)
32 - A first-principles study of aryloxyanthraquinone-based optical molecular switch (چکیده)
33 - Structure, vibrational analysisi and intramolecular hydrogen bond strength of some 4-amino-3-penten-2-one derivatives (چکیده)
34 - Structure and geometry of Tetrakis(thiourea) platinum(II) and its guanine substituted complexes, Anticancer compounds (چکیده)
35 - Conformational stability, and intramolecular hydrogen bonding of Ribose; A DFT calculations (چکیده)
36 - The Cu-O strength of Copper (II) X-benzoylacetonate, X=Cland F; by DFT calculations (چکیده)
37 - ارزیابی غیرمخرب ترکیبات شیمیایی چوب های مورد استفاده در بناهای تاریخی منطقه گرگان با استفاده از طیف سنجیFT-IR (چکیده)
38 - Conformational Analysis and Intramolecular Hydrogen Bonding in 4-Butylmino-3-Penten-2-One (چکیده)
39 - Structure and hydrogen bond strength of the enol form of Furoylacethylacetone (چکیده)
40 - Tautomerization and intramolecular hydrogen bond strength of 1-(4- Chlorophenyl)-4,4,4-trifluorobutane-1,3-dione by quantum calculations and experimental spectroscopy (چکیده)
41 - The effect of different Substitutions on the equilibrium constant of 1-Phenyl-1,3- butanedione (چکیده)
42 - Synthesis, Spectroscopic Investigations, and Computational Study of 4-((9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy)-3- methoxybenzaldehyde1 (چکیده)
43 - کاربرد طیف سنجی ارتعاشی (Raman-Mid IR) در شناسایی گونه های سوزنی برگ و پهنبرگ (چکیده)
44 - ICT در آموزش (درس شیمی و آزمایشگاه) (چکیده)
45 - Molecular structure, spectroscopic investigations and computational study on the potential molecular switch of (E)-1-(4-(2- hydroxybenzylideneamino)phenyl)ethanone (چکیده)
46 - 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 (چکیده)
47 - (Vibrational spectra, normal coordinate analysis, and conformation of bis(a-cyanoacetylacetonato) Cu(II (چکیده)
48 - Isomerism and Hydrogen Bonding in the Cis-enol Forms of 1-(n-pyridyl)butane-1,3-diones: A Theoretical Study (چکیده)
49 - CONFORMATIONAL ANALYSIS AND INTRAMOLECULAR HYDROGEN BONDING IN HEPTANE-3-AMINO-5-ONE (چکیده)
50 - PROTON TUNNELING IN PYRIDINE-PYRIDININIUM AND ITS 2-AMINO AND 2-AMINO-4-METHYL DERIVATIVES COMPLEXES (چکیده)
51 - NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES (چکیده)
52 - Study of the intramolecular hydrogen bonding of some α-cyano-1,3–diketones by using AIM and NBO calculations (چکیده)
53 - Theoretical investigation of 1,3-Di(n-pyridyl)-1,3-propanediones (چکیده)
54 - The effect of unconventional hydrogen bonding in the stability of keto forms of 2-Bromo-1,3-diphenylpropane-1,3-dione (چکیده)
55 - Tautomeric stability, molecular structure, NBO, electronic and NMR analyses of salicylideneimino-ethylimino-pentan-2-one (چکیده)
56 - Proton transfer in acetylacetone and its alpha-halo derivatives (چکیده)
57 - Normal coordinate analysis, hydrogen bonding, and conformation analysis of heptane-3,5-dione (چکیده)
58 - Vibrational spectra of a-bromo and a-chloro derivatives of tris(acetylacetonato)chromium(III (چکیده)
59 - Tautomerization in the some of α-bromo-β-Diketones (چکیده)
60 - Vibrational spectra of tris(acetylacetonato)chromium(III) (چکیده)
61 - The effect of bromination and media on the hydrogen bond strength of pyridinium perchlorate (چکیده)
62 - 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 (چکیده)
63 - Theoretical and spectroscopic study on intramolecular hydrogen bonding of 4- amino-3-penten-2-one derivatives (چکیده)
64 - Synthesis, spectroscopic investigations and computational study of monomeric and dimeric structures of 2-methyl-4-quinolinol (چکیده)
65 - Tautomerism, conformational analysis, and spectroscopy studies of 3-bromo-pentane-2,4-dione (چکیده)
66 - A new copper(II) Schiff base complex containing asymmetrical tetradentate N2O2 Schiff base ligand: Synthesis, characterization, crystal structure and DFT study (چکیده)
67 - Synthesis, molecular structure, spectroscopic investigations and computational studies of (E)-1-(4-(4-(diethylamino)-2- hydroxybenzylideneamino)phenyl)ethanone (چکیده)
68 - Adsorption of CCl4 on Armchair Single-Walled Carbon Nanotubes and Graphene Sheet (چکیده)
69 - Conformation, molecular structure, and vibrational assignment of bis(2,2,6,6-tetramethylheptane-3,5-dionato)copper(II) (چکیده)
70 - 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 (چکیده)
71 - Vibrational spectra of Ocimum basilicum L. seed gum (چکیده)
72 - Intramolecular hydrogen bonding and vibrational assignment of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione (چکیده)
73 - Vibrational assignment of calcium acetylacetonate (چکیده)
74 - Very strong intramolecular hydrogen bonding of 1,2-dithenoylcyclopentadiene; DFT and spectroscopic studies (چکیده)
75 - 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) (چکیده)
76 - Theoretical study, and infrared and Raman spectra of copper(II) chelated complex with dibenzoylmethane (چکیده)
77 - Vibrational assignment and structure of Vanadyl acetoacetonate (چکیده)
78 - Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions (چکیده)
79 - ﻣﻄﺎﻟﻌﺎت ﻧﻈﺮی روی اﺛﺮ ﺟﺎﻧﺸﯿﻨﯽ ﻫﺎﻟﻮژن در ﻣﻮﻗﻌﯿﺖ آﻟﻔﺎی ﺗﺮﮐﯿﺐ1و1و1-ﺗﺮیﻓﻠﻮرو-5و5-دیﻣﺘﯿﻞ- 2و4-ﻫﮕﺰان دی اُن (چکیده)
80 - The effect of phenyl substitutions on the structure and metal- ligand bond strength of copper acetylacetonate. A DFT study. (چکیده)
81 - بررسی ساختارو وقذرت پیونذ فلز با لیگانذ کمپلکس آلومینیوم تری فلوئورو استیل استونات با استفاده از نظریه DFT (چکیده)
82 - بررسی ساختار وطیف ارتعاشی نظری مس (II)دی بنزوئیل متان با استفاده ازنظریه تابعی چگال (چکیده)
83 - Conformational analysis and intramolecular hydrogen bond strength of methyl 3-aminocrotonate (چکیده)
84 - 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 (چکیده)
85 - Comparision the intramolecular hydrogen bond of BA and DBM with AA. (چکیده)
86 - 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 (چکیده)
87 - The structure study of 1,3-diaryl-3H-benzo[f]chromenes (چکیده)
88 - Structure And Vibrational Analysis Of Ethyl 3-Amino-2-Butenoate (چکیده)
89 - Metal-Ligand Bond Vibrations In Alkaline Earth Metal Acetylacetonates (چکیده)
90 - Formation constant calculations comparison with experimental researches on ferrocene-containing β-diketones (چکیده)
91 - Molecular structure and intramolecular hydrogen bonding of 1,1,1- trifluoro-5,5-dimethyl-2,4-hexanedione. A DFT study (Part I) (چکیده)
92 - Molecular structure and intramolecular hydrogen bonding of Heptane-3,5-dione. A DFT study (چکیده)
93 - Structure and vibrational assignment of bis(benzoylacetone)copper(II) (چکیده)
94 - 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 (چکیده)
95 - Cis-enol conformers and intramolecular hydrogen bond strength of 2,6-Dimethyl-3,5-heptanedione (چکیده)
96 - Conformation, Structure, Intramolecular H-bonding, and Vibrational Assignment of 1-(2-thienyl)-4,4,4-trifluorobutane-1,3-dione (چکیده)
97 - Cis-enol conformational stability, Molecular structure, and intramolecular hydrogen bonding of 5,5-Dimethyl hexane-2,4 dione. A density functional theoretical study (چکیده)
98 - Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione (چکیده)
99 - INTRAMOLECULAR HYDROGEN BONDING AND KETO CONTENT IN α-HALO SUBSTITUTED 1,1,1-TRIFLUORO -5,5-DIMETHYL-2,4-HEXANDIONE (چکیده)
100 - KETO CONTENT AND INTRAMOLECULAR HYDROGEN BOND IN SOME β-DICARBONYLS (چکیده)
101 - Molecular Structure, and Intramolecular Hydrogen Bonding of Thenoyltrifluoroacetone (چکیده)
102 - Vibrational assignment and structure of trifluorobenzoylacetone: A density functional theoretical study (چکیده)
103 - A facile one-pot synthesis of functionalized fused benzochromene derivatives via intramolecular Wittig reactions (چکیده)
104 - Caesium iodide as an efficient catalyst for synthesis of N‑substituted azepines via tandem Michael addition and cyclisation under aqueous conditions (چکیده)
105 - Structure and vibrational assignment of bis(benzoylacetonato)copper(II) (چکیده)
106 - Structure and isomeric studies of 1,3-diaryl-H-benzo[f]chromene, catalyst effect or thermodynamic stability? An ab initio study (چکیده)
107 - Conformation, molecular structure, and intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione (چکیده)
108 - Vibrational assignment and structure of N-phenylthiobenzamide - A DFT approach (چکیده)
109 - Conformational analysis, intramolecular hydrogen bonding, and vibrational assignment of 4,4-dimethyl-1-phenylpentane-1,3-dione (چکیده)
110 - Theoretical and spectroscopic studies on molecular structure and hydrogen bonding of 1,2-bis (monochloroacetyl) cyclopentadiene (چکیده)
111 - The formation constants determination of α-formyl acetylacetonate complex by pH-metric titration (چکیده)
112 - The theoretical and experimental 1H NMR study of some beta-diketones (A DFT calculation (چکیده)
113 - 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 (چکیده)
114 - Structure and vibrational analysis of methyl 3-amino-2-butenoate (چکیده)
115 - Structure, vibrational assignment, and NMR spectroscopy of 1,2-bis (dichloroacetyl) cyclopentadiene (چکیده)
116 - Silica supported Fe(HSO4)3 as an efficient, heterogeneous and recyclable catalyst for synthesis of -enaminones and -enamino esters (چکیده)
117 - اثر استخلاف CF3 در موقعیت β بر قدرت پیوند هیدروژنی درون مولکولی β- دی کتون ها به کمک نظریه تابعی چگال (DFT) (چکیده)
118 - Intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4- hexanedione. A vibrational spectroscopic study (Part II) (چکیده)
119 - Resonance assisted intramolecular hydrogen bonding of 6-hydroxy-6-(2-thienyl)-2-thenoylfulvene (چکیده)
120 - Structure and vibrational spectra of methyl 3-(methylamino)-2-Butenoate. A density functional theoretical study (چکیده)
121 - IR and Raman spectrophotometric studies on the effects of pH and temperature on structural stability of human serum albumin(HSA) (چکیده)
122 - Structure and conformation of lidocaine and Prilocaine. A DFT study (چکیده)
123 - اثر استخلاف گروه فنیل در موقعیت β بر قدرت پیوند هیدروژنی درون مولکولی β دی کتون ها به کمک نظریه تابعی چگال (DFT) (چکیده)
124 - Conformational stability, molecular structure, intramolecular hydrogen bonding, and vibrational spectra of 5,5-dimethylhexane-2,4-dione (چکیده)
125 - Efficient one-pot synthesis of 1,3-diaryl-3H-benzo[f]chromenes using ferric hydrogensulfate (چکیده)
126 - Structure, intramolecular hydrogen bonding, and vibrational spectraof 2,2,6,6-tetramethyl-3,5-heptanedione (چکیده)
127 - Conformation and vibrational spectra and assignment of 2-thenoyltrifluoroacetone (چکیده)
128 - Vibrational Assignment and Structure of Benzoylacetone: A Density Functional Theoretical Study (چکیده)