Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementation.
about
Mechanical properties of atomically thin boron nitride and the role of interlayer interactionsLattice energies of molecular solids from the random phase approximation with singles corrections.DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite.Organic crystal polymorphism: a benchmark for dispersion-corrected mean-field electronic structure methods.Efficient Construction of Free Energy Profiles of Breathing Metal-Organic Frameworks Using Advanced Molecular Dynamics Simulations.Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001).Unexpected Ge-Ge Contacts in the Two-Dimensional Ge4 Se3 Te Phase and Analysis of Their Chemical Cause with the Density of Energy (DOE) Function.Are dispersion corrections accurate outside equilibrium? A case study on benzene.Faraday cage screening reveals intrinsic aspects of the van der Waals attractionvan der Waals forces control ferroelectric-antiferroelectric ordering in CuInPS and CuBiPSe laminar materials
P2860
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P2860
Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementation.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Many-body dispersion correctio ...... ciprocal space implementation.
@ast
Many-body dispersion correctio ...... ciprocal space implementation.
@en
type
label
Many-body dispersion correctio ...... ciprocal space implementation.
@ast
Many-body dispersion correctio ...... ciprocal space implementation.
@en
prefLabel
Many-body dispersion correctio ...... ciprocal space implementation.
@ast
Many-body dispersion correctio ...... ciprocal space implementation.
@en
P356
P1476
Many-body dispersion correctio ...... ciprocal space implementation.
@en
P2093
János G Ángyán
Sébastien Lebègue
P304
P356
10.1088/0953-8984/28/4/045201
P577
2016-01-12T00:00:00Z