Keywords: پیوند هیدروژنی; Guanosine; Hydrogel; Hydrogen-bond; Single-crystal X-ray analysis; Base pair;
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Keywords: پیوند هیدروژنی; Hyperbranched polymer; Impedimetric determination; Thermal transition; Confined molecules; Hydrogen-bond;
The development of carbon capture by functionalized ionic liquids
Keywords: پیوند هیدروژنی; CO2 capture; Ionic liquid; Functionalization; Tuning basicity; Hydrogen-bond;
Keywords: پیوند هیدروژنی; Solvent impregnated resin; Pore structure; Hydrogen-bond; Monolayer; Stability;
Keywords: پیوند هیدروژنی; Bicyclo octadiene; Hydrogen-bond; Weak emission;
Rational design of metalloenzymes: From single to multiple active sites
Keywords: پیوند هیدروژنی; UAAs; unnatural amino acids; Rd; rubredoxin; EPR; electron paramagnetic resonance; Az; azurin; SOR; superoxide reductase; PDB; protein data bank; 6-PGLac; 6-phosphogluconolactonase; H-bond; hydrogen-bond; NIR; nitrite reductase; ET; electron transfer; 3SC
Keywords: پیوند هیدروژنی; Multiwall carbon nanotubes; Volatile organic compounds; Relative humidity; Linear solvation energy relationship; Hydrogen-bond;
Keywords: پیوند هیدروژنی; Indole adsorption; Hydrogen-bond; Metal-organic frameworks; Amino group; UiO-66;
Keywords: پیوند هیدروژنی; Poly(ethylene oxide); Thiourea; Inclusion complex; Hydrogen-bond; Phase diagram;
Keywords: پیوند هیدروژنی; Ionic liquid; Excess spectroscopy; Two-dimensional correlation spectroscopy; Evolutional mechanism; Moisture; Hydrogen-bond;
Keywords: پیوند هیدروژنی; Charge transitions; First hyperpolarizability; Hydrogen-bond; Nonlinear optical; Transparency-efficiency
Water in the hydration shell of cryoprotectants and their non-cryoprotecting structural analogues as observed by Raman-MCR spectroscopy
Keywords: پیوند هیدروژنی; Cryoprotection; Hydration shell; Vitrification; Raman spectroscopy; Multivariate curve resolution; Isotopic dilution; Hydrogen-bond;
Hydrogen-bonding interactions between 1-butyl-2,3-dimethylimidazolium tetrafluoroborate and dimethyl sulphoxide
Keywords: پیوند هیدروژنی; Ionic liquid; Hydrogen-bond; Excess spectra; Two-dimensional correlation spectra; Density functional theory;
Computational study of red- and blue-shifted CHâ¯Se hydrogen bond in Q3CHâ¯SeH2 (Qâ¯=â¯Cl, F, H) complexes
Keywords: پیوند هیدروژنی; Selenium; Hydrogen-bond; Blue-shift; Non-conventional; Electron density; Hyperconjugation; Rehybridization; Selenocysteine;
Guanine-cytosine base-pairings crosslinked ROS-sensitive supramolecular hydrogels with improved rheological properties
Keywords: پیوند هیدروژنی; ROS-sensitive; Base pairs; Guanine-cytosine; Hydrogen-bond; Hydrogel;
Assessment of detailed conformations suggests strategies for improving cryoEM models: Helix at lower resolution, ensembles, pre-refinement fixups, and validation at multi-residue length scale
Keywords: پیوند هیدروژنی; EMDB; Electron Microscopy Data Base; PDB; Protein Data Bank; Tx yyy_z, or T000xEMyyy_z; Target x model yyy_z, the zth submitted model for Challenge target x from modeling group yyy (e.g., T0001EM123_2); H-bond; hydrogen-bond; CaBLAM; Calpha-Based Low-reso
Multicomponent DFT study of geometrical H/D isotope effect on hydrogen-bonded organic conductor, κ-H3(Cat EDT-ST)2
Keywords: پیوند هیدروژنی; Multicomponent density functional theory; Geometrical isotope effect; Hydrogen-bond; Ï-electron system; Nuclear quantum effect;
pH-dependent absorption spectra of rhodopsin mutant E113Q: On the role of counterions and protein
Keywords: پیوند هیدروژنی; Spectra tuning; QM/MM; E113Q rhodopsin; Hydrogen-bond; Anion biosensor;
Hydrogen-bonding interactions between a nitrile-based functional ionic liquid and DMSO
Keywords: پیوند هیدروژنی; Excess spectroscopy; Functionalized ionic liquid; Ion cluster; Ion pair; Hydrogen-bond
Syntheses, characterization, interaction with DNA, cytotoxic and apoptosis of two novel complexes of Zn(II) and Mn(II) with 2-methyl-1H-4,5-imidazoledicarboxylic acid
Keywords: پیوند هیدروژنی; Hydrogen-bond; Fluorescent; Cleavage; Cytotoxicity
Solid-state and solution characterization of half-sandwich Ru(II) complexes with carboxylic ligands containing N-based coordinating functions
Keywords: پیوند هیدروژنی; Half-sandwich complexes; Ruthenium; Solvolysis; Hydrogen-bond; Crystal engineering
Computational study on mechanisms of the anticancer drug: Cisplatin and novel polynuclear platinum(II) interaction with sulfur-donor biomolecules and DNA purine bases
Keywords: پیوند هیدروژنی; Density functional theory (DFT); Novel polynuclear platinum(II); Glutathione; DNA purine bases; Hydrogen-bond;
Synthesis, structural characterization and Hirshfeld analysis studies of three novel co-crystals of trans-4-[(2-amino-3,5-dibrobenzyl) amino] cyclohexanol with hydroxyl benzoic acids
Keywords: پیوند هیدروژنی; Co-crystal; Ambroxol; Hydroxybenzoic acid; Hirshfeld surface; Fluorescence spectroscopy; Hydrogen-bond;
Hydrogen-bonding and dielectric response of N,N-dimethylacetamide aqueous solutions under E/M fields using molecular dynamics
Keywords: پیوند هیدروژنی; Dielectric property; DMAC; Molecular polarizability; Hydrogen-bond;
Hydrogen-bonding interactions between [BMIM][BF4] and dimethyl sulfoxide
Keywords: پیوند هیدروژنی; ATR-FTIR; Excess infrared spectra; Ion cluster; Ion pair; Hydrogen-bond; Ionic liquid
Local order in fully deuterated liquid acetic acid as studied by neutron scattering. Complementarity to X-ray results
Keywords: پیوند هیدروژنی; Neutron scattering; Hydrogen-bond; Pair correlation function;
Theoretical study on the bifunctional substitution reactions between gold(III) dithiocarbamate derivative Au(DMDT)Cl2 (DMDTÂ =Â N,N-dimethyldithiocarbamate) and target molecules
Keywords: پیوند هیدروژنی; Anticancer drug gold(III) dithiocarbamate; DFT; Target molecules; NPA; Transition state; Hydrogen-bond;
H-bonding networks of the distal residues and water molecules in the active site of Thermobifida fusca hemoglobin
Keywords: پیوند هیدروژنی; trHb; truncated hemoglobin; Tf; Thermobifida fusca; Hb; hemoglobin; WT; wild type; ASV; acidic surface variant of Tf-trHb containing two single site mutations Phe107Glu and Arg91Glu; Mb; myoglobin; MES; 2-(N-morpholino)ethanesulfonic acid; MD; molecular d
Dielectric phenomena associated with the keratin–glucose interactions of nail plate
Keywords: پیوند هیدروژنی; Dielectric properties; Activation energy; Hydrogen-bond; Macro-ions; Diabetic nail
High-temperature behavior of NH4H2PO4 studied by single-crystal and MAS NMR
Keywords: پیوند هیدروژنی; NH4H2PO4; MAS NMR; Ferroelectrics; Crystal growth; Phase transition; Nuclear magnetic resonance; Hydrogen-bond
Combination of X-ray crystallography and theoretical study to evaluate the effect of NHâ¯OP versus NHâ¯OC hydrogen bonds on the NH stretching frequencies
Keywords: پیوند هیدروژنی; X-ray; DFT; Phosphoramidate; Hydrogen-bond; AIM; NBO;
Synthesis and conformational studies of a hybrid β-alanine-morpholine tetramer
Keywords: پیوند هیدروژنی; Peptide; Peptidomimetics; Hydrogen-bond; Conformational analysis; Foldamer;
Quantum tautomerization in porphycene and its isotopomers: Path-integral molecular dynamics simulations
Keywords: پیوند هیدروژنی; Path-integral molecular dynamics simulation; Semiempirical electronic structure method; Proton transfer; Hydrogen-bond; Nuclear quantum effect; Porphycene;
A theoretical study on transition state of the antitumor drug: Gold(III) dithiocarbamate derivative interaction with cysteine and DNA purine bases
Keywords: پیوند هیدروژنی; Density functional theory (DFT); Anticancer drug AuIII(DMDT)Cl2; Transition state; Cysteine; DNA purine bases; Hydrogen-bond;
Effects of weak interactions on spin crossover properties of iron(II) complexes with extended π-conjugated Schiff-base ligands
Keywords: پیوند هیدروژنی; Iron(II) Schiff-base complexes; Spin crossover; Single crystal X-ray analysis; π–π Interaction; Hydrogen-bond
A new binuclear MoV–DyIII assembly and its magnetism
Keywords: پیوند هیدروژنی; Cyano bridge; 4d–4f bimetallic complex; Hydrogen-bond; Spin-orbit coupling
(C4N2H12)(NH4)2[(GeO2)3(GeO1.5F3)2]: A new layered germanate containing helical arrays of H-bond
Keywords: پیوند هیدروژنی; Chiral; Germanate; Helix; Hydrogen-bond; Solvothermal synthesis;
Syntheses and structures of four- and five-coordinate bio-related zinc complexes containing dithiolate-diamine ligands
Keywords: پیوند هیدروژنی; Mixed NS-ligands; Biorelated zinc complexes; Binuclear; Ï-Stacked; Hydrogen-bond;
Crystal polymorphism of sodium benzene-1,3-dicarboxy-5-sulfonate monohydrate
Keywords: پیوند هیدروژنی; Polymorph; Hydrogen-bond; Metallosupramolecular isomer; Crystal structure; FT-IR spectra
Computational study on the mechanisms of action of the potential anticancer drug trans-isopropylaminedimethylaminedichloroplatinum (trans-IPADMADP) and its cis isomer with DNA purine bases
Keywords: پیوند هیدروژنی; trans-Platinum-based anticancer drug; Density functional calculation; DNA purine base; Hydrogen-bond; Transition state;
Synthesis, crystal structure, and charge-transfer complexes of TTF derivatives having two imidazole hydrogen-bonding units
Keywords: پیوند هیدروژنی; Charge-transfer complex; Hydrogen-bond; Tetrathiafulvalene; Imidazole
Vapor–liquid equilibrium calculations for refrigerant mixtures with the Mattedi–Tavares–Castier EOS
Keywords: پیوند هیدروژنی; EOS; Refrigerants; Hydrogen-bond; Group-contribution; VLE
Synthesis, structure and luminescence properties of lanthanide complex with a new tetrapodal ligand featuring salicylamide arms
Keywords: پیوند هیدروژنی; Lanthanide coordination polymer; Salicylamide; Crystal structure; Hydrogen-bond; Luminescence properties
Chemical bonding of water to metal surfaces studied with core-level spectroscopies
Keywords: پیوند هیدروژنی; Water; Hydrogen-bond; Surface; X-ray spectroscopy;
Electric field effects on state energy and molecular orientation of 2-hydroxyquinoline in solid polymer films
Keywords: پیوند هیدروژنی; Stark effects; Molecular orientation; Hydrogen-bond; Electroabsorption spectroscopy; Polymer films; Hydroxyquinolines
Dielectric behaviour and hydrogen bond molecular interaction study of formamide-dipolar solvents binary mixtures
Keywords: پیوند هیدروژنی; Dielectric constant; Kirkwood correlation factor; Hydrogen-bond; Molecular interactions; Mixed solvents;
Hydrogen-bond configuration in hydrogen-bond solutions. 1. Alcohol/alcohol solutions
Keywords: پیوند هیدروژنی; Hydrogen-bond; Solution; Alcohol; Mixing Gibbs energy; Mixing heat
Self-assembly via intermolecular hydrogen-bonding between o-/m-/p-NH2 and BF2 groups on dipyrromethenes
Keywords: پیوند هیدروژنی; Boron-dipyrromethene; Hydrogen-bond; Self-assembly;
Synthesis, crystal structure, and properties of a new hydrogen-bonded electron-donor: 1,6-Dithiapyrene-imidazole
Keywords: پیوند هیدروژنی; 1,6-Dithiapyrene; Imidazole; Hydrogen-bond; Charge-transfer complex; Organic conductor;
Synthesis, crystal engineering, and magnetic properties of an anionic 4-terpyridone based copper(II) azide supramolecule containing dinuclear–mononuclear cocrystal
Keywords: پیوند هیدروژنی; Magnetic properties; 4-Terpyridone; Cocrystal; Hydrogen-bond; Tetracopper(II); Azide-bridged