Van der waals interactions in molecular assemblies from first-principles calculations.
about
Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem.Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions.Evaluation of model exchange-correlation kernels in the adiabatic connection fluctuation-dissipation theorem for inhomogeneous systems.Insights into the spurious long-range nature of local r-dependent non-local exchange-correlation kernels.Lattice energies of molecular solids from the random phase approximation with singles corrections.London dispersion in molecular chemistry--reconsidering steric effects.Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory.CCSD(T)/CBS fragment-based calculations of lattice energy of molecular crystals.Practical quantum mechanics-based fragment methods for predicting molecular crystal properties.A benchmark for non-covalent interactions in solids.Methane and carbon dioxide adsorption on edge-functionalized graphene: a comparative DFT study.Prediction of organic molecular crystal geometries from MP2-level fragment quantum mechanical/molecular mechanical calculations.An assessment of the random-phase approximation functional and characteristics analysis for noncovalent cation-π interactions.Reliable DFT-based estimates of cohesive energies of organic solids: the anthracene crystal.Singles correlation energy contributions in solids.The influence of coronene super-hydrogenation on the coronene-graphite interaction.Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications.Double-hybrid density-functional theory applied to molecular crystals
P2860
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P2860
Van der waals interactions in molecular assemblies from first-principles calculations.
description
2010 nî lūn-bûn
@nan
2010 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
name
Van der waals interactions in molecular assemblies from first-principles calculations.
@ast
Van der waals interactions in molecular assemblies from first-principles calculations.
@en
Van der waals interactions in molecular assemblies from first-principles calculations.
@nl
type
label
Van der waals interactions in molecular assemblies from first-principles calculations.
@ast
Van der waals interactions in molecular assemblies from first-principles calculations.
@en
Van der waals interactions in molecular assemblies from first-principles calculations.
@nl
prefLabel
Van der waals interactions in molecular assemblies from first-principles calculations.
@ast
Van der waals interactions in molecular assemblies from first-principles calculations.
@en
Van der waals interactions in molecular assemblies from first-principles calculations.
@nl
P356
P1476
Van der waals interactions in molecular assemblies from first-principles calculations.
@en
P2093
P304
P356
10.1021/JP9095425
P407
P577
2010-02-01T00:00:00Z