Results 141 to 147 of about 1,714,467 (147)

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

Journal of Chemical Physics, 2006
Evelio Francisco, M A Blanco, A Martin Pendás   +2 more
exaly  

Halogen–halogen interactions in perhalogenated ethanes: An interacting quantum atoms study

Computational and Theoretical Chemistry, 2015
Vincent Tognetti, Meziane Yahia-Ouahmed
exaly  

Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities

Journal of Computational Chemistry, 2016
Evelio Francisco, Angel Martín Pendás, Fernando José Holguín-Gallego   +2 more
exaly  

Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach

Chemistry - A European Journal, 2013
Ove Christiansen, Evelio Francisco, Angel Martín Pendás   +2 more
exaly  

Intramolecular halogen bonding: an interacting quantum atoms study

Theoretical Chemistry Accounts, 2016
Vincent Tognetti, Meziane Yahia-Ouahmed
exaly  

Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach

Theoretical Chemistry Accounts, 2016
Evelio Francisco, Angel Martín Pendás, Tomás Rocha Rinza   +2 more
exaly  

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IUCrJ
Maurizio Sironi, Alessandra Forni, Stefano Pieraccini   +2 more
exaly