Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.

Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.

Item
http://www.wikidata.org/entity/Q40314377
Perspective: Quantum mechanical methods in biochemistry and biophysics.Real single ion solvation free energies with quantum mechanical simulation.An energy decomposition analysis for second-order Møller-Plesset perturbation theory based on absolutely localized molecular orbitals.Strength, character, and directionality of halogen bonds involving cationic halogen bond donors.Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C.A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions.Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions.Standard grids for high-precision integration of modern density functionals: SG-2 and SG-3.Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes.Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair steps.
P2860

Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.

Item
http://www.wikidata.org/entity/Q40314377
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
Accurate description of interm ...... y-adapted perturbation theory.
@en
type
label
Accurate description of interm ...... y-adapted perturbation theory.
@en
prefLabel
Accurate description of interm ...... y-adapted perturbation theory.
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Accurate description of interm ...... y-adapted perturbation theory.
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P698