Results 191 to 200 of about 39,054 (213)

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

Foundations of Chemistry, 2020
Cherif F Matta, Olimpia Lombardi, Lombardi Olimpia   +2 more
exaly  

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

2023
openaire   +1 more source

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

Theoretical Chemistry Accounts, 2010
Shant Shahbazian, Shahbazian Shant
exaly  

Quantum Theory of Atoms, Molecules and the Solid State

Zeitschrift für Physikalische Chemie, 1968
openaire   +1 more source

Revisiting the foundations of the quantum theory of atoms in molecules: Some open problems

International Journal of Quantum Chemistry, 2018
Shant Shahbazian
exaly  

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

Journal of Computational Chemistry, 2017
James Anderson, Juan Rodríguez, Andreas W Gotz   +2 more
exaly  

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

Journal of Chemical Physics, 2007
Ricardo Mosquera, Marcos Mandado, Nicolas Otero   +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, Adamo Carlo   +2 more
exaly  

Appendix C: Quantum Theory of Atoms and Molecules

2018
openaire   +1 more source

Theory of a Quantum Scanning Microscope for Cold Atoms

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