Results 171 to 180 of about 5,423 (180)

Two-step emergence: the quantum theory of atoms in molecules as a bridge between quantum mechanics and molecular chemistry

Foundations of Chemistry, 2020
Olimpia Lombardi, Chérif F Matta
exaly  

Complementarity of QTAIM and MO theory in the study of bonding in donor?acceptor complexes

Coordination Chemistry Reviews, 2005
Fernando Cortes-Guzman, Richard F W Bader   +1 more
exaly  

Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties

Journal of Computational Chemistry, 2017
Paul Ayers, Juan I Rodríguez, Andreas W Götz   +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, Luis Gonzalez   +2 more
exaly  

Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths

Chemistry - A European Journal, 2014
Cina Foroutan-Nejad, Shant Shahbazian, Radek Marek   +2 more
exaly  

Quantum theory of atoms in molecules for photovoltaics

Solar Energy, 2019
Vladimir A Potemkin, Nadezhda Palko
exaly  

The kernel energy method applied to quantum theory of atoms in molecules – energies of interacting quantum atoms

Chemical Physics Letters, 2019
Lou Massa
exaly  

Bonding in Endohedral Metallofullerenes as Studied by Quantum Theory of Atoms in Molecules

Chemistry - A European Journal, 2009
Alexey A Popov
exaly  

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

Bader’s Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding

Journal of Chemical Sciences, 2016
exaly