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Cryoprotectant Toxicity: Facts, Issues, and QuestionsJoint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug DesignSome Brief Notes on Theoretical and Experimental Investigations of Intramolecular Hydrogen BondingNMR Spectroscopic Characterization of Charge Assisted Strong Hydrogen Bonds in Brønsted Acid CatalysisOrthotropic Piezoelectricity in 2D NanocelluloseCovalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments.Microsolvation of methylmercury: structures, energies, bonding and NMR constants ((199)Hg, (13)C and (17)O).Solvation dependence of valence electronic states of water diluted in organic solvents probed by soft X-ray spectroscopy.Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxation.Field effects induce bathochromic shifts in xanthene dyes.Quantum Chemical Modeling of Hydrogen Bonding in Ionic LiquidsStrong orbital interaction in a weak CH-π hydrogen bonding system.ETS-NOCV description of σ-hole bonding.Theoretical description of halogen bonding - an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV)Molecular self-assembly at solid surfaces.Beyond click chemistry - supramolecular interactions of 1,2,3-triazoles.Hydrogen bonding in ionic liquids.Trends of intramolecular hydrogen bonding in substituted alcohols: a deeper investigation.Refinement of labile hydrogen positions based on DFT calculations of 1H NMR chemical shifts: comparison with X-ray and neutron diffraction methods.Strong Short-Range Cooperativity in Hydrogen-Bond Chains.NMR and IR Investigations of Strong Intramolecular Hydrogen Bonds.Resonance-Assisted Hydrogen Bonding as a Driving Force in Synthesis and a Synthon in the Design of Materials.On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications.Hydrogen Atomic Positions of O-H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with ¹H-NMR Chemical Shifts and X-ray Diffraction Methods.Relationships between hydrogen bonds and halogen bonds in biological systems.Negative hyperconjugation and red-, blue- or zero-shift in X-Z∙∙∙Y complexes.Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X.Insensitive ionic bio-energetic materials derived from amino acids.Pursuit of Noncovalent Interactions for Strategic Site-Selective CatalysisComputational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols.An unexpected and significantly lower hydrogen-bond-donating capacity of fluorohydrins compared to nonfluorinated alcohols.Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents.Evaluating the COSMO-RS method for modeling hydrogen bonding in solution.Is the decrease of the total electron energy density a covalence indicator in hydrogen and halogen bonds?Discovery of σ-hole interactions involving ylides.A new theoretical analysis of the cooperative effect in T-shaped hydrogen complexes of CnHm∙∙∙HCN∙∙∙HW with n = 2, m = 2 or 4, and W = F or CN.Resonance-assisted hydrogen bonds revisited. Resonance stabilization vs. charge delocalization.Bond detectors for molecular dynamics simulations, Part I: Hydrogen bonds.A theoretical investigation of the characteristics of hydrogen/halogen bonding interactions in dibromo-nitroaniline.Gas phase hydration of halogenated benzene cations. Is it hydrogen or halogen bonding?
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 15 February 2011
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
What is the covalency of hydrogen bonding?
@en
What is the covalency of hydrogen bonding?
@nl
type
label
What is the covalency of hydrogen bonding?
@en
What is the covalency of hydrogen bonding?
@nl
prefLabel
What is the covalency of hydrogen bonding?
@en
What is the covalency of hydrogen bonding?
@nl
P356
P1433
P1476
What is the covalency of hydrogen bonding?
@en
P2093
Sławomir Janusz Grabowski
P304
P356
10.1021/CR800346F
P577
2011-02-15T00:00:00Z