Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
about
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
Q36280670-AC9C050E-CBE6-4643-BFF7-66B25EA05A92Q39657370-282B0EC0-1896-4F37-8624-282CAE9CBCCAQ46279885-144FED57-10D6-45CA-BE5A-197771957868Q48048625-FA772859-4422-4B2D-935E-1CF0AA972233Q48257800-A3F741E5-53CC-4AA7-9676-82A0B2F23710Q48304336-ACDC1856-22CD-45FB-BB0A-370662BA097CQ50869531-A5490197-B848-47FE-86FB-B1B5DA944805Q56228314-895CC379-910B-4794-8391-99613CB5F612Q56484677-C54BB862-E9C7-4F54-95A8-6B8C5A66D231
P2860
Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
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
P2860
P356
P1433
P1476
Introducing DDEC6 atomic popul ...... tioning theory and methodology
@en
P2093
Nidia Gabaldon Limas
Thomas A. Manz
P2860
P304
47771-47801
P356
10.1039/C6RA04656H
P577
2016-01-01T00:00:00Z