Results 201 to 206 of about 6,329 (206)

Should Environmental Effects Be Included When Performing QTAIM Calculations on Actinide Systems? A Comparison of QTAIM Metrics for Cs2UO2Cl4, U(Se2PPh2)4 and Np(Se2PPh2)4 in Gas Phase, COSMO and PEECM

Polyhedron, 2016
Andy Kerridge, Nikolas Kaltsoyannis, Joseph P W Wellington   +2 more
exaly  

The Electronic Density Obtained From a QTAIM Analysis Used as Molecular Descriptor. A Study Performed in a New Series of DHFR Inhibitors

Journal of Molecular Structure, 2017
Manuel Nogueras, Justo Cobo Domingo, Ricardo D Enriz   +2 more
exaly  

Halogen and Hydrogen Bonding in Halogenabenzene/NH3 Complexes Compared Using Next-Generation QTAIM

Molecules, 2019
Herbert Früchtl, Tanja van Mourik, Shuman Li   +2 more
exaly  

Solid State Applications of QTAIM and the Source Function – Molecular Crystals, Surfaces, Host–Guest Systems and Molecular Complexes

2007
Carlo Gatti
exaly  

Experimental and Theoretical Study on the Molecular Structure, Covalent and Non-Covalent Interactions of 2,4-Dinitrodiphenylamine: X-Ray Diffraction and QTAIM Approach

Journal of Molecular Structure, 2017
Rogerio R Sotelo-Mundo, Hilda E Esparza-Ponce, Roberto C Carrillo-Torres   +2 more
exaly  

A QTAIM view on halogen bonding

2016
openaire   +1 more source