Results 181 to 190 of about 3,461 (198)

Next Generation Quantum Theory of Atoms in Molecules

Lecture Notes in Quantum Chemistry II, 2023
Samantha Jenkins, Steven R Kirk
exaly  

Quantum theory of atoms in molecules, electron localization function, and localized-orbital locator investigations on trans -(NHC)PtI 2 ( para -NC 5 H 4 X) complexes

Journal of Chemical Research, 2020
Reza Ghiasi
exaly  

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

International Journal of Quantum Chemistry, 2018
Shant Shahbazian
exaly  

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

Journal of Chemical Physics, 2007
Nicolas Otero, Marcos Mandado, Ricardo A Mosquera   +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, Shahbazian Shant
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, Tognetti Vincent   +2 more
exaly  

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

Chemical Physics Letters, 2019
Lou Massa, Cherif F Matta
exaly  

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  

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