Keywords: تعاملات داخل مولکولی; Conformation analysis; Nuclear magnetic resonance; Coupling constant; Intramolecular interactions; Solvent effect;
مقالات ISI تعاملات داخل مولکولی (ترجمه نشده)
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Keywords: تعاملات داخل مولکولی; Bis(fluorenyl)stannane; Organotin derivatives; Intramolecular interactions; Molecular structure; Structural characterization;
Keywords: تعاملات داخل مولکولی; Ions of group 14 organometallics; Intramolecular interactions; Classic electronic effects; Polarizability effect;
Structural analysis of (5-methyl-[1,3,5]-dithiazinan-2-yl)phosphines and their oxides. N-Borane adducts as conformational probes
Keywords: تعاملات داخل مولکولی; (5-Methyl-[1,3,5]-dithiazinan-2-yl)phosphines; Borane adducts as conformational probes; X-Ray diffraction analysis; Intramolecular interactions; Calculations of the gradient of the reduced electronic density;
Telluroxanes: Synthesis, structure and applications
Keywords: تعاملات داخل مولکولی; Telluroxides; Intramolecular interactions; 125Te NMR; Aggregation; Hydrolysis; Oxidation;
Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains: R2P-NSN-PR2 and R2P-NSN-AsR2
Keywords: تعاملات داخل مولکولی; Chalcogens; Pnictogens; Density functional calculations; Configuration determination; Intramolecular interactions;
Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulations
Keywords: تعاملات داخل مولکولی; Alanine dipeptide; Solvent effects; Intramolecular interactions; Intermolecular interactions; MD simulations; Chloroform; Dimethyl sulfoxide; Methanol; N-methylacetamide; Amino acid conformations;
Structural elucidation of 2-fluorothiophenol from Fourier transform microwave spectra and ab initio calculations
Keywords: تعاملات داخل مولکولی; Microwave spectroscopy; Ground state effective structure; Ab initio calculations; Intramolecular interactions;
Comparative study of geometric and QTAIM-based differences between XHâ¯Y intramolecular charge-inverted hydrogen bonds, M1â¯(HX) agostic bonds and M2â¯(η2-XH) Ï interactions (X = Si, Ge; Y = Al, Ga; M1 = Ti, Co; M2 = Mn, Fe, Cr)
Keywords: تعاملات داخل مولکولی; Charge-inverted hydrogen bond; Agostic bond; Ï Interaction; QTAIM; Organometallic complexes; Intramolecular interactions;
The effect of C-substituents on the topomerization mechanism, inversion barriers and electronic character of CN bond in N-alkylimines: A theoretical study
Keywords: تعاملات داخل مولکولی; Imines; Topomerization mechanism; Inversion barrier; Intramolecular interactions; Atomic charges; NBO analysis;
Intramolecular interactions in polynorbornanes
Keywords: تعاملات داخل مولکولی; Polynorbornanes; Intramolecular interactions; Homodesmotic reactions;
Peptides and peptide-derived molecules targeting the intracellular domains of Cx43: Gap junctions versus hemichannels
Keywords: تعاملات داخل مولکولی; Connexin; Gap junctions; Hemichannels; Intramolecular interactions; Cytoplasmic loop; C-terminal tail; Peptides; Ischemia; Brain; Heart
Theoretical investigation of the substituent effects in the conformational isomerism of bromoalkoxycyclohexanes
Keywords: تعاملات داخل مولکولی; Conformational analysis; Isodesmic reactions; Intramolecular interactions; Bromoalkoxycyclohexanes;
The lack of intramolecular hydrogen bonding and the side chain effect in alanine conformers
Keywords: تعاملات داخل مولکولی; Conformational analysis; Amino acids; Alanine; Hydrogen bonding; Intramolecular interactions
Raman spectral studies on 2′-hydroxyacetophenone in binary liquid mixtures
Keywords: تعاملات داخل مولکولی; Raman spectra; Intramolecular interactions; Micro viscosity; Onsager model; Hydrogen bond
Electron density shift description of non-bonding intramolecular interactions
Keywords: تعاملات داخل مولکولی; MP2; Intramolecular interactions; Electron density shift; Molecular tailoring;
Synthesis and structural characterization of new dinuclear silver(I) complexes: Different coordination modes of substituted 1,2,4-triazine ligands
Keywords: تعاملات داخل مولکولی; Silver(I); Substituted 1,2,4-triazine; Intramolecular interactions
Er3+ and Eu3+ complexes with heptafluoroacetylacetone and tris(pentafluoro)phenylphosphine oxide: The role of the pentafluorophenyl group on the coordination geometry and on the electronic absorption spectra
Keywords: تعاملات داخل مولکولی; Lanthanide complexes; Fluorinated ligands; Intramolecular interactions; X-ray structures;
Molecular polarizability anisotropy of some five-membered cyclic imides
Keywords: تعاملات داخل مولکولی; Five-membered cyclic imides; Molar Kerr constant; Dipole moment; Polarizability; Intramolecular interactions
Intramolecular charge-inverted hydrogen bond
Keywords: تعاملات داخل مولکولی; Intramolecular charge-inverted hydrogen bond; Hydrogen bond; Agostic interaction; Reference system; Intramolecular interactions;
Characterization of discontinuous epitope of prion protein recognized by the monoclonal antibody T2
Keywords: تعاملات داخل مولکولی; Prion protein; Antibody; Epitope; Conformation; Intramolecular interactions
Full vs. constrain geometry optimization in the open-closed method in estimating the energy of intramolecular charge-inverted hydrogen bonds
Keywords: تعاملات داخل مولکولی; Intramolecular charge-inverted hydrogen bond; Hydrogen bond; Hydrogen bond energy; Intramolecular interactions; Open-closed method; Isodesmic reaction; Espinosa's formula;
Synthesis, properties and crystal structures of new binuclear lead(II) complexes based on phenyl, naphthyl-containing fluorine β-diketones and substituted 2,2′-bipyridines
Keywords: تعاملات داخل مولکولی; Lead(II); Substituted 2,2′-bipyridine; β-Diketone; Intramolecular interactions
Importance of CH tautomers in the tautomeric mixture of uric acid
Keywords: تعاملات داخل مولکولی; Uric acid; UA building blocks (purine, uracil, 2-imidazolone)); Stability of CH tautomers; Intramolecular interactions; Ï-Electron delocalization; Tautomeric equilibria;
Conformational study of arbutin by quantum chemical calculations and multivariate analysis
Keywords: تعاملات داخل مولکولی; Arbutin; Conformational analysis; Multivariate analysis; Intramolecular interactions;
Photoinduced processes in flurbiprofen–carprofen dyads
Keywords: تعاملات داخل مولکولی; Energy transfer; Excited states; Fluorescence; Intramolecular interactions; Laser flash photolysis
Change of tautomeric equilibria, intramolecular interactions and Ï-electron delocalization when going from phenol to uracil
Keywords: تعاملات داخل مولکولی; Azaphenols; Uracil; Complete tautomeric equilibria; Intramolecular interactions; Ï-Electron delocalization; N-aza effects;
Blue-shifting intramolecular CH â¯Â O(S) contacts in sterically strained systems
Keywords: تعاملات داخل مولکولی; Intramolecular interactions; Steric effect; Steric repulsion; Hydrogen bond energy;
Fluorescence labeling and computational analysis of the strut of myosin's 50Â kDa cleft
Keywords: تعاملات داخل مولکولی; Fluorescence spectroscopy; Peptide mapping; Fluorescence anisotropy; Collisional quenching; Mass spectroscopy; Intramolecular interactions; Structural dynamics;
Studies of steric hindrance and intramolecular interactions in 3-vinylcoumarin and its fluorinated analogues
Keywords: تعاملات داخل مولکولی; 3-Vinylcoumarin; Density functional theory (DFT); Intramolecular interactions; Fluorinated coumarin derivatives;
Intramolecular forces: the molecular structure and conformation of 2-cyclopropylpyridine and 4-cyclopropylpyridine
Keywords: تعاملات داخل مولکولی; Gas-phase electron diffraction; Quantum-chemical calculations; Conformation; Cyclopropyl groups; Intramolecular interactions;
Evaluation of parameters of intramolecular interaction from absorption and fluorescence spectra of substituted arylpolyene with poor resolved vibrational structure
Keywords: تعاملات داخل مولکولی; 3350Dq; 3320ât; 3320Tp; 3370âw; Conjugated fluorescence and absorption spectra; Vibrational analysis; Intramolecular interactions;