Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology

Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology

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http://www.wikidata.org/entity/Q56228313
The role of water in the elastic properties of aluminosilicate zeolites: DFT investigation.Reactive wetting properties of TiO2 nanoparticles predicted by ab initio molecular dynamics simulations.Activation of CO2 by supported Cu clusters.A reference-free stockholder partitioning method based on the force on electrons.Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods.Tunable electronic and magnetic properties of graphene-like XYBe3 (XY = BN, AlN, SiC, GeC) nanosheets with carrier doping: a first-principles study.Facile Anhydrous Proton Transport on Hydroxyl Functionalized Graphane.Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materialsIntroducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond orders
P2860

Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology

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http://www.wikidata.org/entity/Q56228313
description
article
@en
im Jahr 2016 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у 2016
@uk
ലേഖനം
@ml
name
Introducing DDEC6 atomic popul ...... tioning theory and methodology
@en
Introducing DDEC6 atomic popul ...... tioning theory and methodology
@nl
type
label
Introducing DDEC6 atomic popul ...... tioning theory and methodology
@en
Introducing DDEC6 atomic popul ...... tioning theory and methodology
@nl
prefLabel
Introducing DDEC6 atomic popul ...... tioning theory and methodology
@en
Introducing DDEC6 atomic popul ...... tioning theory and methodology
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P577
P356
P1433
P1476
Introducing DDEC6 atomic popul ...... tioning theory and methodology
@en
P2093
P2860
P304
P31
P356
P433
P478
P577