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کلمات کلیدی: Bond
موارد یافت شده: 277
1 - Fe3O4@WO3-E-SMTU-NiII: as an environmentally-friendly, recoverable, durable and noble-free nanostructured catalyst for C–C bond formation reaction in green media (چکیده)2 - Theoretical insight into the deep eutectic solvent based on choline chloride: Malic acid and its role in the transport performance of the antibiotic ciprofloxacin from water (چکیده)
3 - Segmental dynamics of poly(tetrahydrofuran) cross-linked by click-chemistry: Single-chain nanoparticles vs cross-linked networks (چکیده)
4 - Methods for coating solid-phase microextraction fibers with carbon nanotubes (چکیده)
5 - Mechanical properties and fracture surface of Al-Al2O3 nano/micro-composites produced by accumulative roll bonding (چکیده)
6 - Tautomerism in pyridinyl methyl β-diketones in the liquid and the solid state; a combined computational and experimental study (چکیده)
7 - Effect of two-step heating transient liquid phase bonding on microstructure and mechanical behaviour of IN-738LC gas turbine components (چکیده)
8 - Experimental study on the tensile load-carrying capacity of steel/GFRP bonding in moisture and acidic environments at high temperature (چکیده)
9 - Effect of Marble Waste Powder and Silica Fume on the Bond Behavior of Corroded Reinforcing Bar Embedded in Concrete (چکیده)
10 - 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 (چکیده)
11 - Bond Behavior Investigation Between Steel Reinforced Grout Composites and Masonry Substrate (چکیده)
12 - Vibrational spectra, conformation and molecular transport of 5-amino-2,2,6,6-tetramethyl-4-hepten-3-one (چکیده)
13 - Crystal structure prediction of N-halide phthalimide compounds: halogen bonding synthons as a touchstone (چکیده)
14 - Experimental and numerical analyses of damaged-steel plate reinforced by CFRP patch in moisture and the acidic environment under tensile test (چکیده)
15 - The influence of new severe plastic deformation on microstructure, mechanical, and corrosion properties of Mg-0.8Mn-0.5Ca alloy (چکیده)
16 - Tensile Behavior of Damaged-steel Plate Strengthened by One-sided CFRP Patch in Acidic Environment (چکیده)
17 - Perception of the reciprocal influences of the formed interactions and hydrogen bonds, and adsorption energies between zinc-titanate nanoparticles/nano-silica/Dawson heteropolyacid hybrid- water on the positive alternation trends of the strength and properties of ordinary and self-compacting concrete: A systematic study through the quantum mechanical theory and experimental engineering studies (چکیده)
18 - Molecular structure, hydrogen bond strength, and infrared Fourier transform vibrational assignment of 2,6-dimethylheptane-3,5-dione (چکیده)
19 - 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 (چکیده)
20 - Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides (چکیده)
21 - Particulate Modeling of Sand Production Using Coupled DEM-LBM (چکیده)
22 - Effect of homogenization on the TLP bonded joints of IN-738LC superalloy (چکیده)
23 - A redetermination of the structure and Hirshfeld surface analysis of catena-[(diaqua)di(μ-hydroxido)bis(μ-nicotinato-N-oxide)bis(μ-nicotinato-N-oxido)tricopper(II)] (چکیده)
24 - Influence of hydrogen bond network onsupramolecular assembly and gas storage of2D coordination polymers containing amide/ester ligands (چکیده)
25 - GFRP as an alternative for steel nails, development of a model for prediction of creep displacements using experimental tests (چکیده)
26 - Bond behaviour of high-strength steel rebars in normal (NSC) and ultra-high performance concrete (UHPC) (چکیده)
27 - Influence of hydrogen bond network on supra molecular assembly and gas storage of 2D coordination polymers containing amide/ester ligands (چکیده)
28 - Design, fabrication and experimental characterization of whole-thermoplastic microvalves and micropumps having micromilled liquid channels of rectangular and half-elliptical cross-sections (چکیده)
29 - The effects of amino acid sequence and solvent polarity on the self-assembling of cyclic peptide nanotubes and molecular channel formation inside the lipid bilayer (چکیده)
30 - Magnetically recoverable ferromagnetic 3D hierarchical core-shell Fe3O4@NiO/Co3O4 microspheres as an efficient and ligand-free catalyst for C–S bond formation in poly (ethylene glycol) (چکیده)
31 - The effects of temperature and time of bonding on microstructure of GTD-111/BNi-3/GTD-111 bond produced by transient liquid phase bonding process (چکیده)
32 - Pre- and post-TLP bond solution treatments: Effects on the microstructure and mechanical properties of GTD-111 superalloy (چکیده)
33 - A redetermination of the crystal structure of the mannitol complex NH4[Mo2O5(C6H11O6)]·H2O: hydrogen-bonding scheme and Hirshfeld surface analysis (چکیده)
34 - Effect of nano-particle dispersion methods on mechanical behavior of Al-GFRP bonded joints under bending moment (چکیده)
35 - Effect of concrete strength and longitudinal reinforcement arrangement on the performance of reinforced concrete beams strengthened using EBR and EBROG methods (چکیده)
36 - Calibration of bar-Concrete Bond Stress Relationships for Bond Stress Prediction of GFRP Soil Nails Using Experimental Pullout Tests (چکیده)
37 - Conformations, molecular structure, and N–H⋯O hydrogen bond strength in 4-Alkylamino-3-penten-2-ones (چکیده)
38 - Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C6H5O)2P(O)X [X = NHC7H13 and N(CH2C6H5)2] (چکیده)
39 - Experimental study on effect of EBRIG shear strengthening method on the behavior of RC beams (چکیده)
40 - An experimental investigation on effect of elevated temperatures on bond strength between externally bonded CFRP and concrete (چکیده)
41 - The synergistic co-operation of N—H...O=P hydrogen bonds and C—H...OX weak intermolecular interactions (X is =P or —C) in the (CH3O)2P(O)(NH–NHC6F5) amidophosphoester: a combined X-ray crystallographic and theoretical study (چکیده)
42 - Synthesis, Crystal Structure and Hirshfeld Surface (HS) Analysis of Two New Phosphoric Triamides: A Comparison of HSs for Structures with Different Molecular Assemblies (چکیده)
43 - Shear strengthening of RC beams using EBRIG CFRP strips: a comparative study (چکیده)
44 - Experimental and numerical study of the RC beams shear-strengthened with NSM technique (چکیده)
45 - Theoretical study on ionic liquids based on DBUH+: Molecular engineering and hydrogen bond evaluation (چکیده)
46 - Dicyclohexylammonium O,O’-Diphenyl Phosphate, [(C6H11)2NH2][(C6H5O)2P(O)(O)]: Spectroscopic Study, Crystal Structure, and Hirshfeld Surface Analysis (چکیده)
47 - Catalyst-free green synthesis of tetrahydro-benzo[b]pyrans in magnetized water: experimental aspects and molecular dynamics simulation (چکیده)
48 - Two-step heating transient liquid phase bonding of Inconel 738LC (چکیده)
49 - Estimating the intramolecular hydrogen bonds strength in the O-H…O=C systems using experimental 1H NMR results and QTAIM calculations (چکیده)
50 - MD/QM modeling of the modified gold nanoparticles and investigation of their sensing ability for selective detection of melamine (چکیده)
51 - Strengthening of Two-way RC Slabs with Central Opening (چکیده)
52 - A survey of interactions in crystal structures of pyrazine-based compounds (چکیده)
53 - 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)
54 - Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)2P(O)(N)-based structures (چکیده)
55 - A combined X-ray crystallography and theoretical study of N—H…OX (X is ═P and —C) hydrogen bonds in two new structures with a (C—O)2(N)P(═Y)(Y is O and S) skeleton (چکیده)
56 - Modeling of the Functionalized Gold Nanoparticle Aggregation in the Presence of Dopamine: A Joint MD/QM Study (چکیده)
57 - Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring of trifluorobenzoylacetone and 1-aryl-1,3-diketone malonates (چکیده)
58 - Drug-DNA interaction, A joint DFT-D3/MD study on the Safranal as an anticancer and DNA nanostructure model (چکیده)
59 - Numerical Study of Bond – Slip Mechanism in Advanced Externally Bonded Strengthening Composites (چکیده)
60 - Solid and solution states studies of two Mn-II- complexes based on N-oxidized pyridine-2,5-dicarboxylic acid (چکیده)
61 - Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring in some β-diketones and schiff bases (چکیده)
62 - DFT studies on the structure and intramolecular hydrogen bond strength in 1, 2-dibenzoylcyclopentadiene (چکیده)
63 - Intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one, an experimental approach (چکیده)
64 - 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)
65 - 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)
66 - The role of TLP process variables in improvement of microstructure and mechanical properties in TLP joints of GTD-111/Ni-Cr-Fe-B-Si/GTD-111 system (چکیده)
67 - Improving the Interaction of Chord and Neck (fingerboard) in String Instruments (چکیده)
68 - The synergistic cooperation of NH…O and CH…O hydrogen bonds in the structures of three new phosphoric triamides (چکیده)
69 - Magnetic field effect on the structural properties of a peptide model: Molecular dynamics simulation study (چکیده)
70 - Bond between Normal Strength and High Strength Concrete (HSC) and reinforcing Bars in Splices in Beams (چکیده)
71 - Local Bond Strength of Reinforcing Bars in Normal Strength and High Strength Concrete (HSC) (چکیده)
72 - Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey of analogous ring-containing structures (چکیده)
73 - Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone (A Theoretical and Experimental Study) (چکیده)
74 - DFT Study on the Selective Complexation of B12N12 Nanocage with Alkali Metal Ions (چکیده)
75 - Different molecular assemblies in two new phosphoric triamides with the same C(O)NHP(O)(NH)2 skeleton: crystallographic study and Hirshfeld surface analysis (چکیده)
76 - Conventional and Unconventional Intramolecular Hydrogen Bonding in some Beta-diketones (چکیده)
77 - 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)
78 - Nanofibre Sepiolite Catalyzed Green and Rapid Synthesis of 2-Amino-4H-chromene Derivatives (چکیده)
79 - A catalyst-free and green method for synthesis of 9-substituted-9H-diuracilopyrans in magnetized water: experimental aspects and molecular dynamics simulation (چکیده)
80 - Structure, vibrational analysisi and intramolecular hydrogen bond strength of some 4-amino-3-penten-2-one derivatives (چکیده)
81 - Low frequency vibrational spectra and the nature of metal-oxygen bond of alkaline earth metal acetylacetonates (چکیده)
82 - The First C(O) NHP (O)- based Phosphoric Triamide Structure With an N–H ••• π Hydrogen Bonding: A Combination of X-ray Crystallography And Theoretical Study to Evaluate The Strength of Hydrogen Bonds (چکیده)
83 - A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds (چکیده)
84 - Synthesis, crystal structure and Hirshfeld surface analysis of rac-(C6H5O)(cyclo-C6H11NH)P(O)NH(2, 2 (CH3)2C3H4)NHP(O)(OC6H5)(NH-cyclo-C6H11) mixed-amidophosphinate (چکیده)
85 - Synthesisand X-Ray Crystal Structure of (C6H5C(O)NH)P(O)(NHC6H4-4-Cl)2, (CH3)2NC(O)H (چکیده)
86 - A new phosphoric triamide structure: (CH2FC(O)NH)P(O)(NHC6H4-4-CH3)2 (چکیده)
87 - A new Z′ = (2 +0.5 +0.5) amidophosphoester structure: Hirshfeld surface analysis of symmetry- independent molecules (چکیده)
88 - The Structural Study of [2-Cl-C6H4C(O)NH]P(O)[NHC6H4-4-CH3]2 (چکیده)
89 - The first coordination compounds of OP[NC4H8O]3 phosphoric triamide ligand: structural study and Hirshfeld surface analysis of SnIV and MnII complexes (چکیده)
90 - Molecular dynamic simulation and DFT study on the Drug-DNA interaction; Crocetin as an anticancer and DNA nanostructure model (چکیده)
91 - Extensive analysis of N—H…O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study (چکیده)
92 - New placoderm fishes from the Late Devonian of South Africa (چکیده)
93 - Conformational Analysis and Intramolecular Hydrogen Bonding in 4-Butylmino-3-Penten-2-One (چکیده)
94 - Structure and hydrogen bond strength of the enol form of Furoylacethylacetone (چکیده)
95 - The role of hydrogen bond interaction on molecular orientation of alkanolamines through temperature and pressure variation: A mixed molecular dynamics and quantum mechanics study (چکیده)
96 - Structural properties of quercetin by molecular dynamics simulation (چکیده)
97 - Glucose derivatives substitution and cyclic peptide diameter effects on the stability of the self-assembled cyclic peptide nanotubes; a joint QM/MD study (چکیده)
98 - Analysis of P–O–C, P–S–C and P–O–P angles: a database survey completed with four new X-ray crystal structures (چکیده)
99 - Relief of edge effects in bi-adhesive composite joints (چکیده)
100 - 2-Prenylated m -Dimethoxybenzenes as Potent Inhibitors of 15-Lipoxygenase: Inhibitory Mechanis m and SAR studies (چکیده)
101 - Carbon coated Cu nanostructures as a green nanocatalyst for Suzuki crosscoupling reaction (چکیده)
102 - A theoretical study of intramolecular H‒ bonding and metal‒ ligand interactions in some complexes with bicyclic guanidine ligands (چکیده)
103 - Solvent and spin state effects on molecular structure, IR spectra, binding energies and quantum chemical reactivity indices of deferiprone-ferric complex: DFT study (چکیده)
104 - NCI concept as a powerful tool to investigate the origin of Diels–Alder reaction accelerating inside the self-assembled softball nanoreactor (چکیده)
105 - Three new [3-NO2-C6H4C(O)NH]P(O)[NRR']2 (NRR' = N(C2H5)(C6H11), NC4H8O & NC5H9-4-CH3) phosphoric triamide structures (چکیده)
106 - Sensing Activity of a New Generation of Thiourea-based Receptors; A Theoretical Study on the Anion Sensing (چکیده)
107 - Quantum Chemical Aspects Of The Solvent Effects On The Diels Alder Reaction Of 2, 3-Dimethyl-1, 3-butadiene And Diethyl azodicarboxylate (چکیده)
108 - Fe3O4 magnetic nanoparticles (MNPs) as an efficient catalyst for selective oxidation of benzylic and allylic C–H bonds to carbonyl compounds with tert-butyl hydroperoxide (چکیده)
109 - Isomerism and Hydrogen Bonding in the Cis-enol Forms of 1-(n-pyridyl)butane-1,3-diones: A Theoretical Study (چکیده)
110 - CONFORMATIONAL ANALYSIS AND INTRAMOLECULAR HYDROGEN BONDING IN HEPTANE-3-AMINO-5-ONE (چکیده)
111 - Study of the intramolecular hydrogen bonding of some α-cyano-1,3–diketones by using AIM and NBO calculations (چکیده)
112 - The effect of unconventional hydrogen bonding in the stability of keto forms of 2-Bromo-1,3-diphenylpropane-1,3-dione (چکیده)
113 - The first phosphoramide–mercury(II) complex with a Cl2Hg–OP[N(C)(C)]3 segment (چکیده)
114 - Syntheses and structures of four new mixed-amide phosphoric triamides (چکیده)
115 - Intramolecular hydrogen bonding in 5-nitrosalicylaldehyde: IR spectrum and quantum chemical calculations (چکیده)
116 - A database analysis of P—O—C bond angles in the structures with P(O)[O—C]2[N] and P(S)[O—C]2[N] segments: a comparison with P—S—C bond angles and completed with three new structures (چکیده)
117 - The Study of Bubble Coalescence in Coaxial and Side-by-Side Motions (چکیده)
118 - A Theoretical Study on the Structure–Radical Scavenging Activity of Some Hydroxyphenols (چکیده)
119 - INTRAMOLECULAR-PROTON TRANSFER, EXPERIMENTAL AND THEORETICAL CHARACTERIZATION OF 3,3-DIHYDROXY-4,4-[4,4-DIPHENYLMETHANEBIS (NITRILOMETHYLIDYNE)]-BIS-PHENOL (چکیده)
120 - Structural and Dynamic Investigation of [EMIM]+[PF6]-Electrolyte: An Atomistic Simulation (چکیده)
121 - Normal coordinate analysis, hydrogen bonding, and conformation analysis of heptane-3,5-dione (چکیده)
122 - Theoretical design of the cyclic lipopeptide nanotube as a molecular channel in the lipid bilayer, molecular dynamics and quantum mechanics approach (چکیده)
123 - Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism (چکیده)
124 - The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylate: synthesis, X-ray crystal structure, and DFT studies (چکیده)
125 - On thermomechanical stress analysis of adhesively bonded composite joints in presence of an interfacial void (چکیده)
126 - Synthesis and characterization of three new amido-phosphate salts with a C(O)NHP(O)(O)-[N] skeleton (چکیده)
127 - 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)
128 - Theoretical and spectroscopic study on intramolecular hydrogen bonding of 4- amino-3-penten-2-one derivatives (چکیده)
129 - Synthesis, spectroscopic investigations and computational study of monomeric and dimeric structures of 2-methyl-4-quinolinol (چکیده)
130 - (2-Aminopyrimidine- κ N 1 )aqua(pyridine-2,6-dicarboxylato- κ 3 O 2 , N,O 6 )copper(II): X-ray and DFT calculated structure (چکیده)
131 - Tautomerism, conformational analysis, and spectroscopy studies of 3-bromo-pentane-2,4-dione (چکیده)
132 - Effective in vitro gene delivery to murine cancerous brain cells using carbon nanotube-polyethylenimine conjugates (چکیده)
133 - A new phosphorothioic triamide structure: P(S)[NHCH2C6H5]3 (چکیده)
134 - Hydrogen storage by N-ethylcarbazol as a new liquid organic hydrogen carrier: A DFT study on the mechanism (چکیده)
135 - A Combined Molecular Dynamic and Quantum Mechanic Study of the Solvent and Guest Molecule Effect on the Stability and Length of Heterocyclic Peptide Nanotube (چکیده)
136 - Accurate Analysis of Adhesively Bonded Piezoelectric Actuators Using Full Layerwise Theory (چکیده)
137 - A combined quantum mechanics and molecular mechanics study on nitrogen oxide adsorption/ dissociation on a tungsten oxide surface (چکیده)
138 - 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)
139 - Theoretical studies on the deacylation step of acylated Candida Antarctica lipase B; Structural and reaction pathway analysis (چکیده)
140 - Vibrational assignments and proton tunneling studies of pyrimidine-pyrimidinium complex (چکیده)
141 - Two new thiophosphoramide structures: N,N',N"-tricyclohexylphosphorothioic triamide and O,O'-diethyl (2-phenylhydrazin-1-yl)thiophosphonate (چکیده)
142 - Hydrogen bond strength and vibrational assignment of the enol form of 3-(ortho-methoxyphenylthio) and 3-(para-methoxyphenylthio) pentane-2,4-dione (چکیده)
143 - Molecular Dynamics Simulation of CO2-MEA Mixtures: Structural View (چکیده)
144 - A Theoretical Study on the Structure–Radical Scavenging Activity of 2-Amino Phenol and 3-Amino Phenol (چکیده)
145 - NBO and Spin Density Analysis of o-Phenylenediamine and p-Phenylenediamine as Radical Scavengers (چکیده)
146 - NBO Analysis for the Encapsulation of H2O2 in Functionalized B -Cyclodextrin by Density Functional Theory (چکیده)
147 - Theoretical and spectroscopic studies on molecular structure and hydrogen bonding of 2-trifluoroacetylphenol (چکیده)
148 - Molecular structure and intramolecular hydrogen bonding in 2-hydroxybenzophenones: A theoretical study (چکیده)
149 - Molecular crowding effects on conformation and stability of G-quadruplex DNA structure: Insights from molecular dynamics simulation (چکیده)
150 - Theoretical investigation of the chemoselectivity and synchronously pyrazole ring formation mechanism from ethoxymethylenemalononitrile and hydrazine hydrate in the gas and solvent phases: DFT, meta-GGA studies and NBO analysis (چکیده)
151 - Intramolecular hydrogen bonding and vibrational assignment of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione (چکیده)
152 - QTAIM and NBO Analysis of a New Oxidative Salt of 1,1/-(Ethane-1, 2-diyl) Dipyridinium bisiodate (چکیده)
153 - Conformational switch of insulin-binding aptamer into G-quadruplex induced by K+ and Na+: an experimental and theoretical approach (چکیده)
154 - Investigation of Microstructure and Mechanical Properties of Al/nanoAl2O3 Composites fabricated by ARB process (چکیده)
155 - New Oxo Centered Basic p-Chlorobenzoate Bridging Heterotrinuclear Complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray Crystal Structure, and Theoretical DFT Study (چکیده)
156 - New Approaches to Bond Between Bamboo and Concrete (چکیده)
157 - An analytical investigation on thermomechanical stress analysis of adhesively bonded joints undergoing heat conduction (چکیده)
158 - Geometrical correlations in the nucleosomal DNA conformation and the role of the covalent bonds rigidity (چکیده)
159 - Synthesis, Spectroscopic Characterization and Crystal Structure Determination of 3-(4-Chlorophenylthio)-1,3-diphenylpropan-1-one (چکیده)
160 - Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions (چکیده)
161 - Synthesis and Spectroscopic Characterization of CF2XC(O)NHP(O)(C3H8)2 (X = F & Cl), Crystal Structure of CF3C(O)NHP(O)(C3H8)2 (چکیده)
162 - Conformational analysis and intramolecular hydrogen bond strength of methyl 3-aminocrotonate (چکیده)
163 - Structure And Vibrational Analysis Of Ethyl 3-Amino-2-Butenoate (چکیده)
164 - Molecular structure and intramolecular hydrogen bonding of 1,1,1- trifluoro-5,5-dimethyl-2,4-hexanedione. A DFT study (Part I) (چکیده)
165 - Molecular structure and intramolecular hydrogen bonding of Heptane-3,5-dione. A DFT study (چکیده)
166 - Cis-enol conformers and intramolecular hydrogen bond strength of 2,6-Dimethyl-3,5-heptanedione (چکیده)
167 - Cis-enol conformational stability, Molecular structure, and intramolecular hydrogen bonding of 5,5-Dimethyl hexane-2,4 dione. A density functional theoretical study (چکیده)
168 - Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione (چکیده)
169 - INTRAMOLECULAR HYDROGEN BONDING AND KETO CONTENT IN α-HALO SUBSTITUTED 1,1,1-TRIFLUORO -5,5-DIMETHYL-2,4-HEXANDIONE (چکیده)
170 - Molecular Structure, and Intramolecular Hydrogen Bonding of Thenoyltrifluoroacetone (چکیده)
171 - Vibrational assignment and structure of trifluorobenzoylacetone: A density functional theoretical study (چکیده)
172 - Analytical Solutions of Stress Field in Adhesively Bonded Composite Single-lap Joints under Mechanical Loadings (چکیده)
173 - New rac-XP(O)(OC6H5)(NHC6H4-p-CH3) [X = N(CH3)(cyclo-C6H11) and NH(C3H5)] and rac-(C6H5CH2NH)-P(O)(OC6H5)(NH-cyclo-C6H11) mixed-amide phosphinates (چکیده)
174 - Magnetic effects on the solvent properties investigated by molecular dynamics simulation (چکیده)
175 - A DFT Study on the Thermodynamics Properties of new Oxidative Salt of 1, 1/- (Ethane-1, 2-diyl) dipyridinium dichromate (VI) (چکیده)
176 - Conformation, molecular structure, and intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione (چکیده)
177 - Theoretical study of intramolecular hydrogen bonding in the halo derivatives of 1-amino-3-imino-prop-1-ene (چکیده)
178 - A CSD analysis on H-bond patterns from phosphoric triamides to their coordination compounds, new complexes with (tBuNH)3PO ligand (PO): Cl2Ph2Sn(PO)2 and Fe(PO)2(NO3)3 (چکیده)
179 - Conformational analysis, intramolecular hydrogen bonding, and vibrational assignment of 4,4-dimethyl-1-phenylpentane-1,3-dione (چکیده)
180 - Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers (چکیده)
181 - Theoretical Study on the Microsolvation of Alanin at the X3LYP Level (چکیده)
182 - Theoretical and spectroscopic studies on molecular structure and hydrogen bonding of 1,2-bis (monochloroacetyl) cyclopentadiene (چکیده)
183 - Shear bond strength and antibacterial effects of orthodontic composite containing TiO2 nanoparticles (چکیده)
184 - Investigating the effect of bond slip on the seismic response of RC structures (چکیده)
185 - Analysis of N—H…O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database (چکیده)
186 - First example of a 1:1 vanadium(IV)-citrate complex featuring the 2,2\\\'-bipyridine co-ligand: Synthesis, X-ray crystal structure and DFT calculations (چکیده)
187 - Using a sulfur-bearing silane to improve rubber formulations for potential use in industrial rubber articles (چکیده)
188 - Structure and vibrational analysis of methyl 3-amino-2-butenoate (چکیده)
189 - NEW APPROACHES TO BOND BETWEEN BAMBOO AND CONCRETE (چکیده)
190 - Structure, vibrational assignment, and NMR spectroscopy of 1,2-bis (dichloroacetyl) cyclopentadiene (چکیده)
191 - Computational study of the intramolecular proton transfer reactions of dipicolinic acid (pyridine-2,6-dicarboxylic acid) and its dimers (چکیده)
192 - Two new XP(O)[NHC(CH3)3]2 phosphoramidates, with X = (CH3)2N and [(CH3)3CNH]2P(O)(O) (چکیده)
193 - Density functional theory study of dipicolinic acid intramolecular hydrogen bonding (چکیده)
194 - Hydrogen bonding investigation in 1-ethyl-3-methylimidazolium based ionic liquids from density functional theory and atoms-in-molecules methods (چکیده)
195 - Synthesis and Theoretical Study of Intramolecular Hydrogen Bond at Two Possible Positions in Pyrazolo[1,2‐b]phthalazine (چکیده)
196 - HOMO-LUMO Energy and NBO Analysis on Chemical Reactivity Description of Some Derivatives of 1-Pyrazolines (چکیده)
197 - AIM, NBO and HOMO-LUMO Analysis of 1,1/-(Ethane-1,2-diyl)dipyridinium bis(iodate) (EDB) by Density Functional Method (چکیده)
198 - Characterization and Crystal Structure of Trans-Dichloro(Bis-Thiocarbohydrazide) Cadmium(II) (چکیده)
199 - Transport of a Liquid Water-Methanol Mixture in a Single Wall Carbon Nanotube (چکیده)
200 - Two new CuII 1D-coordination polymers containing 1,4-pyrazine-2,3-dicarboxylic acid, 2-aminopyridine, and 5-bromo-6-methyl-2-(4-methylpiperazine-1-yl)pyrimidine-4-amine: X-ray crystal structure, spectroscopic and magnetic studies (چکیده)
201 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of ethyl benzoylacetate (چکیده)
202 - The Study of Bubble Coalescence in Coaxial and Side-by-Side Motions (چکیده)
203 - Crystal structure, hydrogen bonds and C-X…p (X=H,F) interactions of a new acetyl phosphorylamidate (چکیده)
204 - Two Novel Chiral Inorganic–Organic Hybrid Materials Containing Preyssler and Wells–Dawson Heteropolyoxometallates with Valine (val), Glycine (gly), and Proline (pro) Amino acids: (Hval)2(Hgly)(H3O)6K5[Na(H2O)P5W30O110].19.5H2O and (Hpro)6[P2W18O62].8H2O (چکیده)
205 - The effect of graphite shape on vacuum-free diffusion bonding of ST37 steel and nodular cast iron (چکیده)
206 - Ceria nanoparticles as an efficient catalyst for oxidation of benzylic C H bonds (چکیده)
207 - Synthesis, Characterization, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound (چکیده)
208 - X-ray structure of 1D-coordination polymer of copperII bearing 1,4-pyrazine-2,3-dicarboxylic acid and 2-aminopyrimidine (چکیده)
209 - Crystal Structure of Tris(2-hydroxyethyl)ammonium chloride (چکیده)
210 - Synthesis and Crystal Structure of Trans-[Ni(pyzdcH)2(H2O)2] BASED ON PYRAZINE-2,3-DICARBOXYLIC ACID (چکیده)
211 - Synthesis and Characterization of N-dichloroacetyl-N’,N’’ (cyclohexyl methyl) phosphoric triamide (چکیده)
212 - The influence of hydrophobic amino acid side groups on the acidity of the aromatic imidazole ring of histidine: A theoretical study (چکیده)
213 - Molecular dynamics simulation studies of some new aspects of structural and dynamical properties of n-butyl formate at varying temperature (چکیده)
214 - Intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4- hexanedione. A vibrational spectroscopic study (Part II) (چکیده)
215 - Conformations and Intramolecular hydrogen bonding in 3-Bromodibenzoylmethane (چکیده)
216 - Resonance assisted intramolecular hydrogen bonding of 6-hydroxy-6-(2-thienyl)-2-thenoylfulvene (چکیده)
217 - Supramolecular Structure of Calcium(II) Based on Chelidamic Acid An Agreement Between Theoretical and Experimental Studies: (چکیده)
218 - Consideration of C-H…O interaction in the heterocyclicorganic-inorganic hybrid material: tri-prolinium12-phosphomolibdate heteropolyoxometalate (چکیده)
219 - Discussion on the regioselectivity of aminolysis of 5-bromo-2,4- dichloro-6-methylpyrimidine in ethanole (چکیده)
220 - A Brief Review on Structural Concepts of Novel Supramolecular Proton Transfer Compounds and Their Metal Complexes Part(II) (چکیده)
221 - اثر استخلاف گروه فنیل در موقعیت β بر قدرت پیوند هیدروژنی درون مولکولی β دی کتون ها به کمک نظریه تابعی چگال (DFT) (چکیده)
222 - Conformational stability, molecular structure, intramolecular hydrogen bonding, and vibrational spectra of 5,5-dimethylhexane-2,4-dione (چکیده)
223 - Study on H-bond patterns in phosphoric triamides having a P(O)NHC(O) skeleton, a gauche orientation of P(O) vs C(O) in new compounds (چکیده)
224 - C–H/p synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction† (چکیده)
225 - Structural variation within uraniumVI heterocyclic carboxylates: Solid and solution states studies (چکیده)
226 - Noncontact Liquid-Crystal Alignment by Supramolecular (چکیده)
227 - Synthesis and Characterization of Tetraprolinium Silicotungstic Acid Tetrahydrate, [L-C5H10NO2]4[SiW12O40].4H2O, As a New Organic-Inorganic Hybrid Based on Polyoxometallates (چکیده)
228 - Different orientations of C=O versus P=O in P(O)NHC(O) skeleton: the first study on an aliphatic diazaphosphorinane with a gauche orientation (چکیده)
229 - Contribution of intermolecular interactions to constructing supramolecular hybrid of polyoxomolybdate and ((1H-tetrazole-5-yl) methyl)morpholinearchitecture: Synthesis, structure and Hirshfeld surface analysis of a new (چکیده)
230 - Syntheses, crystal, and molecular structures of Mn(II), Zn(II), and Ce(III) compounds and solution studies of Mn(II), Ni(II), Cu(II), Zn(II), Cd(II), and Ce(III) compounds obtained from a suitable proton transfer compound containing bda and pydcH2 (bda 5 butane-1,4-diamine; pydcH2 5 pyridine-2,6-dicarboxylic acid) (چکیده)
231 - Very Strong Centrosymmetric [O...H...O]+ and Asymmetric [O-H…O]+ Hydrogen Bonds In a New POM-Based Hybrid Material (چکیده)
232 - A novel method for manufacturing of aluminum foam sandwich panels (چکیده)
233 - Synthesis, characterization and crystal structure of (C6H5O)2P(O)[NHC6H4(4-CH3)] (چکیده)
234 - Synthesis, Spectroscopic Characterization and Crystal Structure of a New phosphorylamidate[(C6H4(2-CH3)NH)2P(O)(O)(O)P(NH(C6H4(2-CH3)))2] (چکیده)
235 - Syntheses, characterizations, and molecular structures of Ferric and Chromic coordination compound consisting up dipicolinic acid and 2-aminopyridine (چکیده)
236 - Synthesis and characterization of new proton transfer ligand and chromeIII coordination compound (چکیده)
237 - Vibrational assignment of α-cyanoacetylacetone (چکیده)
238 - Piperazinediium, Zr(IV) and Ce(IV) pyridine-2,6-dicarboxylates: Syntheses, characterizations, crystal structures, ab initio HF, DFT calculations and solution studies (چکیده)
239 - High-coordinated lanthanum(III) complexes with new mono- and bidentate phosphoryl donors; spectroscopic and structural aspects (چکیده)
240 - Structure, intramolecular hydrogen bonding, and vibrational spectraof 2,2,6,6-tetramethyl-3,5-heptanedione (چکیده)
241 - Vibrational assignment and proton tunneling in pyridine–pyridinium complexes (چکیده)
242 - Entropy generation analysis in film condensation on an elliptical tube with interfacial shear stress at high Bond numbers (چکیده)
243 - O-H Bond Cleavage Step of the Wacker Process: A DFT Study (چکیده)
244 - Contribution of intermolecular interactions to constructing supramolecular architecture: Synthesis, structure and Hirshfeld surface analysis of a new hybrid of polyoxomolybdate and ((1H-tetrazole-5-yl) methyl)morpholine (چکیده)
245 - Spectroscopic Studies of intramolecular H bond in the enol form of -diketones. I. Frequencies assignment “Spectrochim (چکیده)
246 - Experimental and theoretical studies of the triphenyltin(IV) chloride adduct of pyridine-2-ethanol (چکیده)
247 - Influence Of Hydrogen Plasma On Properties Of Transparent PEDT/PSS Thin Films (چکیده)
248 - Modelling interfacial failure in adhesively bonded structures (چکیده)
249 - Response of Reinforced Concrete Members Under Uniaxial Tension (چکیده)
250 - Investigation of Corrosion Effects on Bond-Slip and Tensile Strength of Reinforced Concrete Members (چکیده)
251 - Corrosion effects on tension stiffening behavior of reinforced concrete (چکیده)
252 - 2J(P,C) and 3J(P,C) Coupling Constants in Some New Phosphoramidates (چکیده)
253 - The effect of various substituents on the structural parameters of (چکیده)
254 - Spectra and structure of binary azeotropes VI-benzene-methanol (چکیده)
255 - Conformational analysis, tautomerization, IR, Raman, and NMR studies of 3-phenylazo-2,4-pentanedione (چکیده)
256 - Structure and Vibrational assignment of 3,4-diacetyl-2,5-hexanedione (چکیده)
257 - Vibrational Assignment of Trifluorobenzoylacetone (چکیده)
258 - Vibrational assignment of dibenzoylmethane. A density functional theoretical study (چکیده)
259 - Structure and vibrational assignment of 3-nitro-2,4-pentanedione: A densityfunctional theoretical study (چکیده)
260 - Hydrogen bond strength and vibrational assignment of the enolform of 3-(phenylthio)pentane-2,4-dione (چکیده)
261 - Conformation, structure, intramolecular hydrogen bonding,and vibrational assignment of 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione (چکیده)
262 - Structure and vibrational assignment of the enol form 1-chloro-1,1-difluoro-pentane-2,4-dione (چکیده)
263 - Intramolecular hydrogen bonding in 3-Methylthio-pentane-2,4-dione (چکیده)
264 - Structure and vibrational assignment of the enol form of 3-chloro-pentane-2,4-dione (چکیده)
265 - Finite element modeling of single-walled carbon nanotubes (چکیده)
266 - Vibrational assignment and structure of benzoylacetone: A density functional theoretical study (چکیده)
267 - Intramolecular hydrogen bonding in 2-nitromalonaldehyde: Infrared spectrum and quantum chemical calculations, (چکیده)
268 - Effect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio, (چکیده)
269 - Fourier transforms infrared spectra and structure of triformylmethane. A density functional theoretical study (چکیده)
270 - Structure and vibrational assignment of the enol form of 1,1,1-trifluoro-2,4-pentanedione (چکیده)
271 - Conformational stability, molecular structure, and intramolecular hydrogen bonding of thenoyltrifluo (چکیده)
272 - A two-dimensional potential function for bent hydrogen bonded systems.II-6-hydroxy-2- formylfulvene (چکیده)
273 - A two-dimensional double minimum potential function for bent (چکیده)
274 - A novel technique for increasing electron mobility of indium-tin-oxide transparent conducting films (چکیده)
275 - Enhancement of drift mobility of zinc oxide transparent-conducting films by a hydrogenation process (چکیده)
276 - molecular conformation and intramolecular hydrogen bonding in 4-amino-3-penten-2-one (چکیده)
277 - Vibrational assignment of C2v deuterium substituted pyrimidines (چکیده)
