Quantum-Chemical Investigations on the Structure and Stability of Mixed Trimers Containing HC3N in Combination with H2C2 and/or HCN Analyzed by QTAIM, NBO and SAPT Methods [PDF]
Andrea Pietropolli Charmet +3 more
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The two-component quantum theory of atoms in molecules (TC-QTAIM): the unified theory of localization/delocalization of electrons, nuclei, and exotic elementary particles [PDF]
, 2013 Mohammad Goli, Shant Shahbazian
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The Conceptual and Mathematical Foundations of the MC-QTAIM
This is a polished version of v2 ...
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Estudio QTAIM de nitrilos y compuestos relacionados
, 2016 Esta Tesis se origina dentro de una investigación más general sobre la transferibilidad de grupos funcionales que en aquellos momentos desarrollaba el Grupo de Química Cuántica de la Universidad de Vigo [1- 4]. A lo largo de su desarrollo los objetivos iniciales fueron modificados para considerar también problemas de reactividad.
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Direct air capture of CO2– topological analysis of the experimental electron density (QTAIM) of the highly insoluble carbonate salt of a 2,6-pyridine-bis(iminoguanidine), (PyBIGH2)(CO3)(H2O)4 [PDF]
, 2018 Christopher G. Gianopoulos +6 more
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Mannich reaction with organozinc reagents in continuous flow: experimental and computational studies. [PDF]
RSC AdvFraile-González L +3 more
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Unusually Strong Cooperative Noncovalent Binding of Elemental Mercury by Protonated Melamine: A Density Functional and Coupled-Cluster Study. [PDF]
J Phys Chem ATsipis AC.
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