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نام مجله: Journal of Molecular Structure


موارد یافت شده: 167

1 - H5BW12O40-Catalyzed syntheses of 1,4-dihydropyridines and polyhydroquinolines via Hantzsch reaction: Joint experimental and computational studies (چکیده)
2 - Investigation of the uncommon basic properties of [Ln(W5O18)2]9– (Ln = La, Ce, Nd, Gd, Tb) by changing central lanthanoids in the syntheses of pyrazolopyranopyrimidines (چکیده)
3 - Conformation, molecular structure, and vibrational assignment of bis(3,5-heptanedionato)copper(II) (چکیده)
4 - HSA-interaction studies of uranyl complexes of alkyl substituted isothiosemicarbazone (چکیده)
5 - Crystal structure, characterization, Hirshfeld surface analysis and DFT studies of two [propane 3-bromo-1-(triphenyl phosphonium)] cations containing bromide (I) and tribromide (II) anions: The anion (II) as a new brominating agent for unsaturated compounds (چکیده)
6 - Substantiation to structure-property of pyrazine-based compounds by undeniable impress of its different connectivities (چکیده)
7 - A heterodinuclear complex of s-d block containing sodium-I-, manganese-II- and the enrofloxacinate anion: Preparation, crystal structure and antibacterial activity (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 - Synthesis & crystal structures of four new biochemical active Ni(II) complexes of thiosemicarbazone and isothiosemicarbazone-based ligands: In vitro antimicrobial study (چکیده)
10 - Symmetric quaternary phosphonium cation and perchlorate/chlorate anions: Crystal structure, Database study and Hirshfeld surface analysis (چکیده)
11 - The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey (چکیده)
12 - An eight-coordinate zinc complex containing the highly pre-organized ligand 1,10-phenanthroline-2,9-dicarboxylic acid: Solvothermal synthesis, supramolecular structure and CSD studies (چکیده)
13 - The possibility of iron chelation therapy in the presence of different HPOs; a molecular approach to the non-covalent interactions and binding energies (چکیده)
14 - Investigation of non-covalent and hydrogen bonding interactions on the formation of crystalline networks and supramolecular synthons of a series of α-aminophosphonates: Crystallography and DFT studies (چکیده)
15 - Magnetic field effect on the structural properties of a peptide model: Molecular dynamics simulation study (چکیده)
16 - Molecular structure, spectroscopic studies, and coppereoxygen bond strength of a-methyl and a-ethyl derivatives of copper (II) acetylacetonate; Experimental and theoretical approach (چکیده)
17 - Structural insights into two inorganic-organic hybrids based on chiral amino acids and polyoxomolybdates (چکیده)
18 - 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)
19 - Normal coordinate analysis of pyridine and its C2v 2H-isotopomers. A new approach (چکیده)
20 - Low frequency vibrational spectra and the nature of metal-oxygen bond of alkaline earth metal acetylacetonates (چکیده)
21 - Synthesis, structure, and magnetic properties of a dinuclear antiferromagnetically coupled iron(II) complex (چکیده)
22 - 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)
23 - (Vibrational spectra, normal coordinate analysis, and conformation of bis(a-cyanoacetylacetonato) Cu(II (چکیده)
24 - Tautomeric stability, molecular structure, NBO, electronic and NMR analyses of salicylideneimino-ethylimino-pentan-2-one (چکیده)
25 - Intramolecular hydrogen bonding in 5-nitrosalicylaldehyde: IR spectrum and quantum chemical calculations (چکیده)
26 - Vibrational assignments and structure of bis(3-amino-1- phenyl-2- buten-1-onato)copper(II) complex (چکیده)
27 - Normal coordinate analysis, hydrogen bonding, and conformation analysis of heptane-3,5-dione (چکیده)
28 - Vibrational spectra of a-bromo and a-chloro derivatives of tris(acetylacetonato)chromium(III (چکیده)
29 - تحلیل صفحات چند لایه با استفاده از نظریه تغییر شکل برشی مرتبه بالا با تابع زیگزاگ بهبود یافته (چکیده)
30 - تهیه داربست سه بعدی پوست انسانی و بررسی برهم کنش سلول های چسبنده مغز استخوان رت با این داربست (چکیده)
31 - Histological study of rat adherent bone marrow cells behavior cultured in decellularized human skin matrix in presence of hyaluronic acid in vitro (چکیده)
32 - بررسی تاثیر عددی الگوریتم گرادیان مزدوج ترکیبی بابایی و قنبری در حل مساله افرازبندی گراف (چکیده)
33 - بهینه سازی توپولوژی مسائل تنش مسطح در تحلیل ایزوژئومتریک (چکیده)
34 - بررسی نظریه های زیگزاگ در تحلیل خمش صفحات مستطیلی چند لایه (چکیده)
35 - An Energy-Efficient Level Shifter for Low-Power Applications (چکیده)
36 - تحلیل عملکرد وب سرور با استفاده از مفاهیم نظریه صف و اصول شبیه سازی (چکیده)
37 - بررسی مسئله مسیریابی – موجودی کالای فاسد شدنی در یک زنجیره تامین دو سطحی با در نظر گرفتن زمان رسیدن وسیلهی نقلیه (چکیده)
38 - Economic order and production quantities in an integrated vendor-buyer supply chain (چکیده)
39 - روزن داران کف زی و جلبکهای آهکی سازند تیرگان در برش چینه شناسی طاهرآباد (خاور حوضه رسوبی کپه داغ) (چکیده)
40 - بوم شناسی دیرینه و بررسی نحوه استقرار براکیوپودهای ووچیاپینگین (جلفین) در برشهای چینه شناسی شمال باختر ایران (چکیده)
41 - Central limit theorem for linearly dependent fuzzy random variables (چکیده)
42 - Executive Function in School: The Effectiveness of Executive Functions Strategies Training and Combining It with Neuro-Feedback on Promoting Academic Performance of Students (چکیده)
43 - عوامل موثر پذیرش بازاریابی مبتنی بر تلفن همراه (مورد مطالعه: دفاتر خدماتی و ارتباطی همراه اول) (چکیده)
44 - هضم مشترک قسمت آلی زباله جامد شهری با گلیسرین برای افزایش تولید بیوگاز (چکیده)
45 - بهینه سازی موازنه هزینه، زمان و کیفیت در پروژه های عمرانی با رویکرد بررسی تاثیر انتخاب مواد و نیروی کار (چکیده)
46 - Reducible fuzzy Markov chain and ‎fuzzy absorption probability (چکیده)
47 - Dp,q-Distance and the Strong Law of ‎Large Number for Negatively ‎Dependent Fuzzy Random Variables (چکیده)
48 - A comprehensive fuzzy topsis model ‎ in multiple criteria decision making (چکیده)
49 - The law of the Iterated logarithm theorem for negative dependent random variables (چکیده)
50 - عدم قطعیت در فرآیند های تصادفی و ‏زنجیرهای مارکف‎ ‎فازی ‏ (چکیده)
51 - حل عددی معادلات انتگرال فازی فردهلم خطی نوع دوم با استفاده از موجک هار (چکیده)
52 - Dp,q−distance and partial correlation coefficient of fuzzy random variables (چکیده)
53 - ‎Multivariate Process Capability Index based on fuzzy tolerance region (چکیده)
54 - Comparison of Cp, Cpk and Cp-‎tilde process capability indices in ‎the case of measurement error ‎occurrence (چکیده)
55 - A goodness of fit index to reliability analysis in fuzzy model (چکیده)
56 - La distance-Dp,q et le coefficient de correlation entre deux variables aleatoires floues (چکیده)
57 - Measurement Error Effect On the Performance of the Fuzzy Process Capability (چکیده)
58 - Cooperation Tuning in MANETs: A Fuzzy Approach Fuzzy Behaviors of Node in the Presence of Conflict (چکیده)
59 - Mesenchymal Stem Cell: A New Vehicle for Cancer Therapy (چکیده)
60 - Genetically Modified Mesenchymal Stem Cells Show Enhanced Migration Capability (چکیده)
61 - Evidences for Interconvertability Potency of Germ Cell Factors Induced-MEFs to Neural-Like Cells (چکیده)
62 - Liver Tissue Engineering Based on Stem Cell Differentiation (چکیده)
63 - Markers of Pluripotency Can be Induced in Human Keratinocytes after Co-culturing with a Pluripotent Tissue (چکیده)
64 - Use of Stromal Amniotic Membrane as a Suitable Scaffold for Tissue Engineering (چکیده)
65 - Investigating the Regenerative Potential of Trans- differentiated Adipose-derived Stem Cells (t-ASCs) in Cutaneous Wound Healing (چکیده)
66 - Studying the Expression Patterns of OCT4 and SOX2 Proteins in Regenerating Rabbit Ear Tissue (چکیده)
67 - Investigating Survival and Differentiation of Mesenchymal Stem Cells to Vascular Cells and Components when Seeded on a Decellularized Aortic Scaffold (چکیده)
68 - Investigating the Cytotoxic and Anticancer Effects of 8- Isopentenyloxy Coumarin on PC3 Prostate Cancer Cells (چکیده)
69 - Auraptene Enhances Cytotoxicity and Apoptosis Induced by Cisplatin in Esophageal Stem-Like Carcinoma Cells (چکیده)
70 - Increased Cytotoxicity of Paclitaxel and 5-Fluorouracil in Stem-Like KYSE30 Cells by Combination with Auraptene (چکیده)
71 - Investigating Synergic Effects of Valproic Acid on Anticancer Agents in Vitro (چکیده)
72 - Induced Differentiation of Local Cancer Stem Cells in Human Hepatocellular Carcinoma as a Tool for Cancer Treatment (چکیده)
73 - Investigation of the Molecular Signature and Spermatogenesis Potential of Newborn Chicken Spermatogonial Stem Cells in vitro (چکیده)
74 - Expression Analysis of BORIS during Retinoic Acid- Induced Differentiation of Mouse Embryonal Carcinoma P19 Cells (چکیده)
75 - An Investigation of the Effect of Electromagnetic Waves with Low Frequency in Causing Chromosome Damages in L929 Cell Line (چکیده)
76 - Multi-Receiver Dense Coding in High-Dimensional Hilbert Spaces (چکیده)
77 - تحلیل ارگونومیکی ایستگاه¬های کنترل کیفی بر اساس رویکرد فعالیت¬های فیزیکی- فکری همزمان (چکیده)
78 - تاملی بر ظرفیت های روش شناختی روایت در علوم اجتماعی (چکیده)
79 - 12th international conference of science technology (چکیده)
80 - نقش ابزارهای تبلیغاتی در جذب گردشگران ورزشی (چکیده)
81 - بررسی پتانسیل‌های گردشگری در منطقه حفاظت‌شده بینالود و ارزیابی اقتصادی آن به روش هزینه سفر(TCM) (چکیده)
82 - اکوتوریسم روستایی و بررسی موردی روستای نایبندان استان خراسان جنوبی (چکیده)
83 - حمایت از دانش سنتی در تجاری سازی فناوری با نگاهی به اسناد بین المللی (چکیده)
84 - An Argonaute sequence within the Iranian Beet black scorch virus satellite RNA (چکیده)
85 - A Characterization of shearlet frames (چکیده)
86 - تحلیل تنش های پسماند ناشی از جوشکاری در صفحات دارای بازشو و سخت کننده (چکیده)
87 - تقویت صفحات فولادی دارای بازشو با استفاده از سخت کننده تحت اثر بارهای انفجاری (چکیده)
88 - تحلیل دینامیکی غیرخطی صفحات فولادی تحت بارهای انفجاری (چکیده)
89 - Ultrasound effect on the heat stability of bovine alpha-lactalbumin (چکیده)
90 - مطالعه رفتار لرزه ای سیستم نوین دیوار برشی فولادی تقویت شده با FRP (چکیده)
91 - Effect of ultrasound on the chemical stability of alpha-lactalbumin (چکیده)
92 - Melanogenic Factors Gene Expression in Human Neonatal RPE Cells in Comparison to Human Adult RPE cells; An in Vitro Study (چکیده)
93 - Effect of Passage Number on Melanogenic Factors in Human RPE Cells (چکیده)
94 - The best trans-esterification condition for the lipid extracted from microalgae cultivated in urban wastewter (چکیده)
95 - ON DUAL SHEARLET FRAME (چکیده)
96 - Vibrational spectra of tris(acetylacetonato)chromium(III) (چکیده)
97 - Baysian Estimation of Lifetime Performance Index Based on RSS Sample on RSS Sample (چکیده)
98 - Evaluation of the immunoregulatory effects of ES antigens of Marshallagia marshalli in a mouse model of experimental allergic asthma (چکیده)
99 - Tautomerism, conformational analysis, and spectroscopy studies of 3-bromo-pentane-2,4-dione (چکیده)
100 - تولید نوشاخه از گیاه بومادرانAchilleabibersteiniiAfan.) ) با استفاده از تکنیک کشت بافت (چکیده)
101 - ارزیابی گرمایش جهانی تولید شیر در واحدهای صنعتی پرورش گاو شیری (چکیده)
102 - A new copper(II) Schiff base complex containing asymmetrical tetradentate N2O2 Schiff base ligand: Synthesis, characterization, crystal structure and DFT study (چکیده)
103 - بررسی الکتروشیمیایی تاثیر بازدارنده های معدنی بر رفتار خوردگی فولاد کربنی در محلول آب مقطر و مونواتیلن گلایکول (چکیده)
104 - بررسی پدیده نفوذ محلول در پوشش های پلیمری با استفاده از مدل های تغییر ظرفیت خازنی (چکیده)
105 - A full-length infectious clone of Beet soil-borne virus indicates the dispensability of the RNA-2 for virus survival in planta and symptom expression on Chenopodium quinoa leave (چکیده)
106 - بررسی و مطالعه پستانداران منطقه حفاظت شده بینالود در استان خراسان رضوی (چکیده)
107 - Exploring the influence of crystal environment on the geometry of bis(pyridine-2,6-dicarboxylato) chromium (III) anionic complexes containing various cationic moieties: Synthesis, structures and Hirshfeld surface analysis (چکیده)
108 - کاربرد تکنیک ABCدر صنعت بانکداری (چکیده)
109 - A COMPARITIVE ANALYSIS OF AIRLINES EFFICIENCY: EVIDENCE FROM MIDDLE EAST AND NORTH AFRICA (چکیده)
110 - Synthesis, structure and DFT study of a chelidamic acid based Cu coordination polymer: On the importance of p–p interactions and hexameric water clusters (چکیده)
111 - Intramolecular hydrogen bonding and vibrational assignment of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione (چکیده)
112 - Synthesis, structure, solution and DFT studies of a pyrazine-bridged binuclear Cu(II) complex: On the importance of noncovalent interactions in the formation of crystalline network (چکیده)
113 - Very strong intramolecular hydrogen bonding of 1,2-dithenoylcyclopentadiene; DFT and spectroscopic studies (چکیده)
114 - Modeling and Implementation of Demand Dispatch in a Smart Micro-grid (چکیده)
115 - Erratum to ‘‘Structure and vibrational assignment of bis(4-amino-3-penten-2-onato)nickel(II). A density functional theoretical study’’ [J. Mol. Struct. 997 (2011) 117–125] (چکیده)
116 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of benzyl acetoacetate (چکیده)
117 - 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)
118 - Synthesis, characterization and intramolecular proton transfer of 3,3’-Dihydroxy-4,4’-[5-methyl-1,3-phenylenebis(nitrilomethylidyne)]-bis-phenol (چکیده)
119 - Structure and vibrational assignment of bis(benzoylacetonato)copper(II) (چکیده)
120 - Conformation, molecular structure, and intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione (چکیده)
121 - Vibrational assignment and structure of 3-amino-1-phenyl-2-buten-1-one (چکیده)
122 - Conformational analysis and vibrational assignment of bis-gem-diol of hexafluoroacetylacetone (چکیده)
123 - Theoretical and spectroscopic studies on molecular structure and hydrogen bonding of 1,2-bis (monochloroacetyl) cyclopentadiene (چکیده)
124 - Combination of X-ray crystallography and theoretical study to evaluate the effect of N-H...O=P versus N-H...O=C hydrogen bonds on the N-H stretching frequencies (چکیده)
125 - Structure, vibrational assignment, and NMR spectroscopy of 1,2-bis (dichloroacetyl) cyclopentadiene (چکیده)
126 - Synthesis, characterization, crystal structure and thermal behavior of 4-Bromo-2-(((5-chloro-2-hydroxyphenyl)imino)methyl)phenol and its oxido-vanadium(V) complexes (چکیده)
127 - New organotin(IV)-phosphoramidate complexes: Breaking of the P═O…H—N hydrogen bonds and its influence on the molecular packing (چکیده)
128 - Synthesis, X-ray structure, spectroscopic properties and DFT studies of some dithiocarbazate complexes of nickel(II) (چکیده)
129 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of ethyl benzoylacetate (چکیده)
130 - Structure and vibrational assignment of bis(4-amino-3-penten-2-onato)nickel(II). A density functional theoretical study (چکیده)
131 - Conformational stability, molecular structure, intramolecular hydrogen bonding, and vibrational spectra of 5,5-dimethylhexane-2,4-dione (چکیده)
132 - Molecular structure and vibrational assignments of bis(4-aminopent-3-en-2-onato)copper(II): A detailed density functional theoretical study (چکیده)
133 - Synthesis, X-ray crystal structure and spectroscopic characterization of heterotrinuclear oxo-centered complex [Fe2NiO(CH3CH2COO)6(H2O)3] (چکیده)
134 - Gas phase kinetics and mechanism of 2,2-dimethyl but-3-enal and 1-methyl-6-methylenecyclohexa-2,4-diene-1-carbaldehyde retro-cheletropic ene reaction (چکیده)
135 - DFT calculations on the retro-ene reactions, part II: allyl n-propyl sulfide pyrolysis in the gas phase (چکیده)
136 - Substituent effects on the gas phase reactivity of alkyl allyl sulfides, a theoretical study (چکیده)
137 - Diversity in coordination behavior of dipicolinic acid with lead(II), calcium(II), and nickel(II) in the presence of pyrazine and 2-amino-4-methylpyridine spacers in construction of three supramolecular architectures (چکیده)
138 - A new supramolecular compound of chrome(III): Synthesis, spectroscopic characterization, X-ray crystal structure, DFT, and solution studies (چکیده)
139 - Structure, intramolecular hydrogen bonding, and vibrational spectraof 2,2,6,6-tetramethyl-3,5-heptanedione (چکیده)
140 - Vibrational assignment and proton tunneling in pyridine–pyridinium complexes (چکیده)
141 - O-H Bond Cleavage Step of the Wacker Process: A DFT Study (چکیده)
142 - Structure and vibrational assignment of magnesium acetylacetonate: A density functional theoretical study (چکیده)
143 - Experimental and theoretical studies of the triphenyltin(IV) chloride adduct of pyridine-2-ethanol (چکیده)
144 - Conformation and vibrational spectra and assignment of 2-thenoyltrifluoroacetone (چکیده)
145 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of 3-phenylazo-2,4-pentanedione (چکیده)
146 - H-Transfer steps of the Wacker process: A DFT study (چکیده)
147 - On the Convergence of Morphing Evolutionary Structural Optimization Method to the Global Optimum for the Beam Design (چکیده)
148 - A novel supramolecular compound of cadmium(II): Synthesis, characterization,crystal structure, ab initio HF, DFT calculations and solution study (چکیده)
149 - Structure and Vibrational assignment of 3,4-diacetyl-2,5-hexanedione (چکیده)
150 - Structure and vibrational assignment of 3-nitro-2,4-pentanedione: A densityfunctional theoretical study (چکیده)
151 - Hydrogen bond strength and vibrational assignment of the enolform of 3-(phenylthio)pentane-2,4-dione (چکیده)
152 - Conformation, structure, intramolecular hydrogen bonding,and vibrational assignment of 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione (چکیده)
153 - Study of interaction of Spironolactone with Hydroxypropyl-β-Cyclodextrin in aqueous solution and in the solid state (چکیده)
154 - Structure and vibrational assignment of the enol form 1-chloro-1,1-difluoro-pentane-2,4-dione (چکیده)
155 - Intramolecular hydrogen bonding in 3-Methylthio-pentane-2,4-dione (چکیده)
156 - Structure and vibrational assignment of the enol form of 3-chloro-pentane-2,4-dione (چکیده)
157 - Vibrational Assignment and Structure of Benzoylacetone: A Density Functional Theoretical Study (چکیده)
158 - Intramolecular hydrogen bonding in 2-nitromalonaldehyde: Infrared spectrum and quantum chemical calculations, (چکیده)
159 - Theoretical studies on the geometry, vibrational frequencies and electronic properties of [X(OH)(6)Mo6O18](4-/3-) (X = Fe-II/Co-III) Anderson-type anions (چکیده)
160 - Effect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio, (چکیده)
161 - A two-dimensional potential function for bent hydrogen bonded systems.II-6-hydroxy-2- formylfulvene (چکیده)
162 - synthesis, structure, and characterization of a new sandwich-type arsentungstocerate,[As2 W18 Ce3 O7 (چکیده)
163 - A two-dimensional double minimum potential function for bent (چکیده)
164 - Molecular structure and vibrational assignment of dimethyl oxaloacetate (چکیده)
165 - contingency reserve pricing via a joint energy and reserve dispatching approach (چکیده)
166 - molecular conformation and intramolecular hydrogen bonding in 4-amino-3-penten-2-one (چکیده)
167 - vibrational assignment and structure of 4-amino-3-cyano-3-penten-2-one (چکیده)