Results 291 to 300 of about 43,553 (307)

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, Tognetti Vincent   +2 more
exaly  

Applications of the quantum theory of atoms in molecules in chemical reactivity

2023
openaire   +1 more source

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

Journal of Computational Chemistry, 2017
James S M Anderson, Juan I Rodríguez, Paul W Ayers   +2 more
exaly  

Quantum Theory of Atoms, Molecules and the Solid State

Zeitschrift für Physikalische Chemie, 1968
openaire   +1 more source

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

Theoretical Chemistry Accounts, 2012
Mohammad Goli, Shant Shahbazian, Shahbazian Shant   +2 more
exaly  

The nature of the hydrogen bond: A synthesis from the interacting quantum atoms picture

Journal of Chemical Physics, 2006
Angel Martin Pendás, M A Blanco, E FRANCISCO   +2 more
exaly  

Recent advances on halogen bonds within the quantum theory of atoms-in-molecules

2023
Vincent Tognetti
exaly  

Appendix C: Quantum Theory of Atoms and Molecules

2018
openaire   +1 more source

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  

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

2023
openaire   +1 more source