Density functional theory and hydrogen bonds: are we there yet?

Density functional theory and hydrogen bonds: are we there yet?

Item
http://www.wikidata.org/entity/Q35562600
Some Brief Notes on Theoretical and Experimental Investigations of Intramolecular Hydrogen BondingPerformance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase.Highly Selective Halide Receptors Based on Chalcogen, Pnicogen, and Tetrel Bonds.Molecular modeling of major tobacco alkaloids in mainstream cigarette smoke.Discrimination between hydrogen bonding and protonation in the spectra of a surface-enhanced Raman sensor.Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C.Less stable tautomers form stronger hydrogen bonds: the case of water complexes.First-principles modeling of molecular crystals: structures and stabilities, temperature and pressure
P2860

Density functional theory and hydrogen bonds: are we there yet?

Item
http://www.wikidata.org/entity/Q35562600
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Density functional theory and hydrogen bonds: are we there yet?
@ast
Density functional theory and hydrogen bonds: are we there yet?
@en
type
label
Density functional theory and hydrogen bonds: are we there yet?
@ast
Density functional theory and hydrogen bonds: are we there yet?
@en
prefLabel
Density functional theory and hydrogen bonds: are we there yet?
@ast
Density functional theory and hydrogen bonds: are we there yet?
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Density functional theory and hydrogen bonds: are we there yet?
@en
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698