QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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Effect of Explicit Hydration on the Cisplatin Reaction Mechanism with Adenine and Guanine
Cisplatin is still a first-line agent in cancer treatment due to its effectiveness. Despite the large body of research concerning this …
J. Iván Salazar-Barrientos
,
José Manuel Guevara-Vela
,
Marco A. García-Revilla
,
Evelio Francisco Miguélez
,
Miguel Gallegos
,
Tomás Rocha-Rinza
,
Ángel Martín Pendás
Source Document
DOI
Linnett is back: understanding chemical bonds through the lens of Born maxima
María Menéndez-Herrero
,
Evelio Francisco Miguélez
,
Angel Martín Pendás
Source Document
DOI
Questioning the orbital picture of magnetic spin coupling: a real space alternative
Ángel Martín Pendás
,
Evelio Francisco Miguélez
Source Document
DOI
Local Spin and Open Quantum Systems: Clarifying Misconceptions, Unifying Approaches
Angel Martín Pendás
,
Evelio Francisco Miguélez
Source Document
DOI
SARS-CoV-2 Main Protease: A Molecular Dynamic Study
Dimas Suárez
,
Natalia Díaz
Source Document
DOI
Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space
José Luis Casals-Sainz
,
Jesús Jara-Cortés
,
Jesús Hernández-Trujillo
,
José Manuel Guevara-Vela
,
Evelio Francisco Miguélez
,
Angel Martín Pendás
Source Document
DOI
Quantum Chemical Topology as a Theory of Open Quantum Systems
Angel Martín Pendás
,
Evelio Francisco Miguélez
Source Document
DOI
Energy Partition Analyses: Symmetry-Adapted Perturbation Theory and Other Techniques
E. Francisco
,
A. Martín Pendás
Source Document
DOI
Emergent Scalar and Vector Fields in Quantum Chemical Topology
A. Martín Pendás
,
E. Francisco
,
A. Gallo-Bueno
,
J. M. Guevara Vela
,
A. Costales
Source Document
DOI
Beyond Standard Charge Density Topological Analyses
Angel Martín Pendás
,
Miroslav Kohout
,
Miguel Alvarez Blanco
,
Evelio Francisco Miguélez
Source Document
DOI
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