Improved Density Dependent Correction for the Description of London Dispersion Forces.

Improved Density Dependent Correction for the Description of London Dispersion Forces.

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http://www.wikidata.org/entity/Q40295607
Establishing the limits of efficiency of perovskite solar cells from first principles modelingBiomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density PartitioningLattice energies of molecular solids from the random phase approximation with singles corrections.DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.Accurate structures and energetics of neutral-framework zeotypes from dispersion-corrected DFT calculations.On the structure of crystalline and molten cryolite: Insights from the ab initio molecular dynamics in NpT ensemble.A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface.Effects of atomic scale roughness at metal/insulator interfaces on metal work function.Dissociative iodomethane adsorption on Ag-MOR and the formation of AgI clusters: an ab initio molecular dynamics study.Performance of CuII -, PbII -, and HgII -Exchanged Mordenite in the Adsorption of I2 , ICH3 , H2 O, CO, ClCH3 , and Cl2 : A Density Functional Study.An ab initio study of the electronic structure of indium and gallium chalcogenide bilayers.A DFT investigation of the adsorption of iodine compounds and water in H-, Na-, Ag-, and Cu- mordenite.Extension of the D3 dispersion coefficient model.Extending the applicability of the Tkatchenko-Scheffler dispersion correction via iterative Hirshfeld partitioning.Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materialsFaraday cage screening reveals intrinsic aspects of the van der Waals attractionThe local response of global descriptors
P2860

Improved Density Dependent Correction for the Description of London Dispersion Forces.

Item
http://www.wikidata.org/entity/Q40295607
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Improved Density Dependent Correction for the Description of London Dispersion Forces.
@en
type
label
Improved Density Dependent Correction for the Description of London Dispersion Forces.
@en
prefLabel
Improved Density Dependent Correction for the Description of London Dispersion Forces.
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Improved Density Dependent Correction for the Description of London Dispersion Forces.
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P698