Results 191 to 198 of about 3,461 (198)

Quantum theory of atoms in molecules for photovoltaics

Solar Energy, 2019
Vladimir Potemkin, Nadezhda Palko, Maria Grishina   +2 more
exaly  

Li and Na Adsorption on Graphene and Graphene Oxide Examined by Density Functional Theory, Quantum Theory of Atoms in Molecules, and Electron Localization Function

Molecules, 2019
Nicholas Dimakis, Isaiah Salas, Muhammad I Bhatti   +2 more
exaly  

The two-component quantum theory of atoms in molecules (TC-QTAIM): the unified theory of localization/delocalization of electrons, nuclei, and exotic elementary particles

Theoretical Chemistry Accounts, 2013
Mohammad Goli, Shant Shahbazian, Shahbazian Shant   +2 more
exaly  

Author response for "High-throughput quantum theory of atoms in molecules (QTAIM) for geometric deep learning of molecular and reaction properties"

null Santiago Vargas, null Winston Gee, null Anastassia Alexandrova   +2 more
openaire   +1 more source

Theory of a Quantum Scanning Microscope for Cold Atoms

Physical Review Letters, 2018
Denis V Vasilyev, P Zoller
exaly  

Unraveling charge transfer processes with the quantum theory of atoms-in-molecules

Theoretical Chemistry Accounts, 2016
Vincent Tognetti, Tognetti Vincent, Joubert Laurent   +2 more
exaly  

Decision letter for "High-throughput quantum theory of atoms in molecules (QTAIM) for geometric deep learning of molecular and reaction properties"

openaire   +2 more sources

The Quantum Theory of Atoms in Molecules Fragment Transferability Studied Theoretically and Experimentally with QTAIM - Implications for Electron Density and Invariom Modelling

2007
Luger, P., Dittrich, B., Matta, C.F., Boyd, R.J.   +3 more
openaire   +1 more source