Keywords: پیوند هیدروژنی; Aniline; Trichloroacetate; Hydrogen bond; FT-Raman; FT-IR; DFT;
مقالات ISI پیوند هیدروژنی (ترجمه نشده)
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Keywords: پیوند هیدروژنی; Infrared intensity; Charge flux; Electron density; Vibronic coupling; Hydrogen bond; Halogen bond
Keywords: پیوند هیدروژنی; Hydrogen bond; Mechanical anharmonicity; Electrical anharmonicity; Potential energy surface; Spectral density; Linear response theory
Keywords: پیوند هیدروژنی; Anion sensing; Fluoride detection; Benzimidazol ligand; Hydrogen bond; Fluorescence quenching;
Keywords: پیوند هیدروژنی; Hydrogen bond; Halogen bond; Many-body interaction energy; DFT; QTAIM; Charge transfer;
Keywords: پیوند هیدروژنی; Guanidine; Sorafenib; Protein kinases; RAF-1; MEK-1; Docking; EGFR; Epidermal growth factor receptor; ERK; extracellular signal-regulated kinase; HB; hydrogen bond; MAPK; Mitogen-activated protein kinase; MEK; Mitogen-activated protein/extracellular signa
Keywords: پیوند هیدروژنی; Hydrogen bond; Fluorescence chemosensor; Coumarin; pH detection;
Keywords: پیوند هیدروژنی; Surface tension; Nonpolar liquid; Magnetic field; Hydrogen bond;
Keywords: پیوند هیدروژنی; Wood liquefaction; Primary fibers; Length/diameter ratio; Thermal stability; Porous structure; Hydrogen bond;
Keywords: پیوند هیدروژنی; Nuclear quantum effects; Zero point kinetic energy; Hydrogen bond; Proton potential; Inelastic neutron scattering;
Keywords: پیوند هیدروژنی; GFP; green fluorescent protein; ROC; receiver operator characteristic; H-bond; hydrogen bond; PSSM; position specific scoring matrix; Amyloid fibril; Bioinformatics; Neurodegenerative disease; Protein misfolding;
Keywords: پیوند هیدروژنی; N; nucleotide; Pu; purine; Py; pyrimidine; H-bond; hydrogen bond; X-bond; halogen bond; F; fluorine; Cl; chlorine; Br; bromine; I; iodine; DSC; differential scanning calorimetry; IsoH; hydrogen bonded isomer; IsoX; halogen bonded isomer; SAS; solvent acce
Keywords: پیوند هیدروژنی; Vibrational polarizability; Hydrogen bond; Water; Dipole derivative; Intermolecular charge flux;
Keywords: پیوند هیدروژنی; Viscosity; Benzene derivatives; Ordinary liquids; Associated liquids; Hydrogen bond;
Keywords: پیوند هیدروژنی; Dimannosides; Linkage constraint; Hydrogen bond; Structural preference; A three-step procedure;
Keywords: پیوند هیدروژنی; Ionic liquids; Cellulose dissolution; Molecular dynamics simulation; Anionic structure; Hydrogen bond;
Keywords: پیوند هیدروژنی; First principle calculation; Structure; Hydrogen bond; Proton affinity; Proton dissociation energy; Entropy effect;
Keywords: پیوند هیدروژنی; Hydrogelator; Intermolecular interaction; Hydrogen bond; Density functional theory; Molecular dynamics simulation;
Keywords: پیوند هیدروژنی; Hydrogen bond; Hydrogen bond breakage; Polymer complex;
Keywords: پیوند هیدروژنی; Poly(vinyl butyral); Poly(vinyl alcohol); Acetalization; Hydrogen bond; Association; Chain conformation;
Keywords: پیوند هیدروژنی; Hydrogen bond; Poly(vinyl alcohol); Thermodynamics; Mixed solvents; 1H NMR;
Keywords: پیوند هیدروژنی; Hydrogen bond; Radial distribution function; Singular value decomposition; Temperature; Water;
Keywords: پیوند هیدروژنی; Boronic acids; Boronic esters; 17O NMR; Hydrogen bond;
Keywords: پیوند هیدروژنی; Molecular dynamics simulation; Proteins from thermophilic and mesophilic organisms; Flexible region; Hydrogen bond; Salt bridge;
Keywords: پیوند هیدروژنی; Excited-state; First-principles; TDDFT; Hydrogen bond
Keywords: پیوند هیدروژنی; Hydrogen bond; Dimer cation; Trimer; Benzene–bromobenzene
Keywords: پیوند هیدروژنی; Absorption; H2S; DFT; Ionic liquid; Hydrogen bond
Keywords: پیوند هیدروژنی; Menthol; Fragile archaeological artifacts; Temporary consolidant; Whisker growth; Hydrogen bond
Keywords: پیوند هیدروژنی; Ultrasound; Hydrogen bond; Ionic liquids; Counter anion; FT-IR; Deconvolution
Anisotropy of the proton kinetic energy in ice Ih
Keywords: پیوند هیدروژنی; Proton; Atomic kinetic energy; Hydrogen bond; Ice Ih; Density functional theory; Deep-inelastic neutron scattering; Vibrational density of states;
Physicochemical studies on proton transfer reaction between methyl[5-(propylthio)-1H-benzoimidazole-2-yl]carbamate (albendazole, ABZ) with 2,4,6- trinitrophenol (picric acid, PA) in chloroform
Keywords: پیوند هیدروژنی; Albendazole; Hydrogen bond; Proton transfer; Spectroscopy; DFT; TD-DFT;
New hybrid cluster-continuum model for pKa values calculations: Case study of neurotransmitters' amino group acidity
Keywords: پیوند هیدروژنی; Hydration; Hydrogen bond; Acidity;
Co-crystal screening of disubstituted adamantane molecules with N-heterocyclic moieties for hydrogen-bonded arrays
Keywords: پیوند هیدروژنی; Supramolecular chemistry; Molecular recognition; Crystal structure; Hydrogen bond; Co-crystal;
Control of energy band, layer structure and vacancy defect of graphitic carbon nitride by intercalated hydrogen bond effect of NO3â toward improving photocatalytic performance
Keywords: پیوند هیدروژنی; ug-C3N4; Hydrogen bond; Nitrogen vacancy; Large specific surface; H2 evolution;
Supramolecular association in Cu(II) and Co(II) coordination complexes of 3,5-dimethylpyrazole: Experimental and theoretical studies
Keywords: پیوند هیدروژنی; Hydrogen bond; Ï-Hole; Chalcogen bond; Anion; Pyrazole;
Time-dependent density functional theory (TDDFT) study on the electronic spectroscopic blue-shift phenomenon and photoinduced charge transfer of firefly luciferin anion in aqueous solution: Insight into the excited-state hydrogen bond weakening mechanism
Keywords: پیوند هیدروژنی; Hydrogen bond; Excited state; Weakening; Spectral blue-shift; TDDFT;
A reagent-assisted method in SERS detection of methyl salicylate
Keywords: پیوند هیدروژنی; SERS; Self-assembly; Hydrogen bond; Methyl salicylate;
Reversible quenching of photoluminescence in stain etched porous silicon at HNO3 posttreatment and role of oxygen bonds
Keywords: پیوند هیدروژنی; Porous silicon; Posttreatment; Reversible photoluminescence; Hydrogen bond; Oxygen bond;
Anisotropy of the proton kinetic energy in CsH2PO4 and KH2PO4
Keywords: پیوند هیدروژنی; Proton; Atomic kinetic energy; Hydrogen bond; KH2PO4, CsH2PO4; Lattice dynamics; Deep-inelastic neutron scattering; Vibrational density of states;
(Li, Na, K)OH hydration bonding thermodynamics: Solution self-heating
Keywords: پیوند هیدروژنی; Solvation; Hydrogen bond; Thermodynamics; Raman spectroscopy;
Effects of intermolecular interactions on absorption intensities of the fundamental and the first, second, and third overtones of OH stretching vibrations of methanol and t-butanolâd9 in n-hexane studied by visible/near-infrared/infrared spectroscopy
Keywords: پیوند هیدروژنی; Near-infrared spectroscopy; NIR; Hydrogen bond; Overtones; Anharmonicity; IR; Alcohol;
Even-odd alternation of near-infrared spectra of alkane-α,Ï-diols in their solid states
Keywords: پیوند هیدروژنی; Alkane-α,Ï-diols; Solid state; Near-infrared spectra; Even-odd alternation; Hydrogen bond;
Construction and structural diversification of eight rare-earth MIII coordination complexes with 5-bromonicotinic acid N-oxide
Keywords: پیوند هیدروژنی; 5-Bromonicotinic acid N-oxide (Hbno); Rare-earth coordination complex; Hydrogen bond; Aromatic stacking interaction; Luminescence sensing;
Solvent effects on excited state intramolecular proton transfer mechanism in 4-(N,N-dimethylamino)-3-hydroxyflavone
Keywords: پیوند هیدروژنی; Intramolecular proton transfer; Hydrogen bond; Frontier molecular orbitals; Potential energy curves;
Surface tension mediation by Na-based ionic polarization and acidic fragmentation: Inference of hypertension
Keywords: پیوند هیدروژنی; Solvation; Hydrogen bond; Polarizability; Fragilization; Blood pressure;
pH-Dependent reversible crystal transformation of 1-carboxymethyl-1-methyl-pyrrolidinium bromides and their spectroscopic fingerprint
Keywords: پیوند هیدروژنی; 1-(Carboxymethyl)-1-methylpyrrolidinium bromide; Hydrogen bond; Thermal stability; Vibrational spectroscopy; Crystal structure;
Iron and ruthenium complexes having a pincer-type ligand with two protic amidepyrazole arms: Structures and catalytic application
Keywords: پیوند هیدروژنی; Pincer ligand; Pyrazole; Iron; Ruthenium; Hydrogen bond;
Zinc-coordinated MOFs complexes regulated by hydrogen bonds: Synthesis, structure and luminescence study toward broadband white-light emission
Keywords: پیوند هیدروژنی; Zinc complexes; Coordination polymer; Metal-organic frameworks; Hydrogen bond; Topology; Photoluminescence;
Gelation mechanism of polysaccharides from Auricularia auricula-judae
Keywords: پیوند هیدروژنی; Auricularia auricula-judae; Polysaccharides; Gelation mechanism; Hydrogen bond; Carboxyl group; Rheology;
Comparative study of hydrogen bonding interactions between N-methylacetamide and Methyl Acetate/Ethyl Formate
Keywords: پیوند هیدروژنی; Hydrogen bond; Infrared-probe; CO; Ester carbonyl;