Results 241 to 250 of about 41,596 (260)

Revisiting the calculation of condensed Fukui functions using the quantum theory of atoms in molecules

Journal of Chemical Physics, 2007
Ricardo A Mosquera, Marcos Mandado, Nicolás Otero   +2 more
exaly  

Toward a fuzzy atom view within the context of the quantum theory of atoms in molecules: quasi-atoms

Theoretical Chemistry Accounts, 2010
Shant Shahbazian
exaly  

Quantum theory of atoms in molecules, electron localization function, and localized-orbital locator investigations on trans-(NHC)PtI2(para-NC5H4X) complexes

Journal of Chemical Research, 2020
Reza Ghiasi, Sarvin Hossien Saraf
exaly  

Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H2O + He system

Journal of Chemical Physics, 2014
Alexander Semenov, Marie-Lise Dubernet, Dmitri Babikov   +2 more
exaly  

Communications: Making density functional theory and the quantum theory of atoms in molecules converse: A local approach

Journal of Chemical Physics, 2010
Vincent Tognetti, Carlo Adamo
exaly  

Appendix C: Quantum Theory of Atoms and Molecules

2018
openaire   +1 more source

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

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

P quantum field theories with alkaline-earth atoms in optical lattices

Annals of Physics, 2016
Marcello Dalmonte, Peter Zoller, W Bietenholz   +2 more
exaly  

The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations

Theoretical Chemistry Accounts, 2012
Shant Shahbazian, Mohammad Goli
exaly  

Chapter 8 The quantum theory of atoms in molecules and quantum crystallography: a symbiosis

2023
openaire   +1 more source