مقالات بحثية تمّ التفويض بإتاحتها للجميع - Ángel Martín Pendásمزيد من المعلومات
عدد المقالات البحثية غير المتاحة للجميع في أي موقع: 20
One‐electron images in real space: Natural adaptive orbitals
M Menéndez, R Alvarez Boto, E Francisco, A Martin Pendas
Journal of computational chemistry 36 (11), 833-843, 2015
التفويضات: Government of Spain
Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach
E Francisco, JL Casals-Sainz, T Rocha-Rinza, A Martín Pendás
Theoretical Chemistry Accounts 135, 1-8, 2016
التفويضات: Government of Spain
A multipolar approach to the interatomic covalent interaction energy
E Francisco, D Menendez Crespo, A Costales, A Martin Pendas
Journal of computational chemistry 38 (11), 816-829, 2017
التفويضات: Government of Spain
Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory
R Chávez-Calvillo, M García-Revilla, E Francisco, ÁM Pendás, ...
Computational and Theoretical Chemistry 1053, 90-95, 2015
التفويضات: Government of Spain
Electron correlation in the interacting quantum atoms partition via coupled‐cluster lagrangian densities
FJ Holguín‐Gallego, R Chávez‐Calvillo, M García‐Revilla, E Francisco, ...
Journal of Computational Chemistry 37 (19), 1753-1765, 2016
التفويضات: Government of Spain
Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective
J Jara‐Cortés, JM Guevara‐Vela, Á Martín Pendás, J Hernández‐Trujillo
Journal of Computational Chemistry 38 (13), 957-970, 2017
التفويضات: Government of Spain
Energy partition analyses: Symmetry-adapted perturbation theory and other techniques
E Francisco, AM Pendás
Non-Covalent Interactions in Quantum Chemistry and Physics, 27-64, 2017
التفويضات: Government of Spain
An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor
ÁM Pendás, JM Guevara-Vela, DM Crespo, A Costales, E Francisco
Physical Chemistry Chemical Physics 19 (3), 1790-1797, 2017
التفويضات: Government of Spain
Decay rate of correlated real-space delocalization measures: Insights into chemical bonding and mott transitions from hydrogen chains
A Gallo-Bueno, M Kohout, A Martı́n Pendás
Journal of chemical theory and computation 12 (7), 3053-3062, 2016
التفويضات: Government of Spain
Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density
JM Guevara-Vela, T Rocha-Rinza, ÁM Pendás
Theoretical Chemistry Accounts 136, 1-5, 2017
التفويضات: Government of Spain
Interacting quantum atoms analysis of the reaction force: a tool to analyze driving and retarding forces in chemical reactions
C Barrales‐Martínez, S Gutiérrez‐Oliva, A Toro‐Labbé, ÁM Pendás
ChemPhysChem 22 (19), 1976-1988, 2021
التفويضات: Government of Spain
Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators
G Acke, S De Baerdemacker, A Martin Pendas, P Bultinck
Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (4), e1456, 2020
التفويضات: Research Foundation (Flanders), Government of Spain
Wave function analyses of scandium-doped aluminium clusters, AlnSc (n= 1–24), and their CO 2 fixation abilities
JM Guevara-Vela, A Sauza-de la Vega, M Gallegos, ÁM Pendás, ...
Physical Chemistry Chemical Physics 25 (28), 18854-18865, 2023
التفويضات: Government of Spain
Structural effects of trifluoromethylation and fluorination in gold (I) BIPHEP fluorothiolates
G Moreno-Alcántar, JM Guevara-Vela, R Delgadillo-Ruiz, T Rocha-Rinza, ...
New Journal of Chemistry 41 (19), 10537-10541, 2017
التفويضات: Government of Spain
Towards an energy partition into real space resonance structures: 1-and 2-particle density matrix decomposition
E Francisco, A Martín Pendás
Molecular Physics 114 (7-8), 1334-1344, 2016
التفويضات: Government of Spain
New developments in the Interacting Quantum Atoms (IQA) approach
M Gallegos, E Francisco, ÁM Pendás
Chemical Reactivity, 83-112, 2023
التفويضات: Government of Spain
The Ehrenfest force field: A perspective based on electron density functions
AJ Mortera-Carbonell, E Francisco, Á Martín Pendás, J Hernández-Trujillo
The Journal of Chemical Physics 159 (23), 2023
التفويضات: Government of Spain
Open quantum systems, electron distribution functions, fragment natural orbitals, and the quantum theory of atoms in molecules
E Francisco, A Costales, ÁM Pendás
Advances in Quantum Chemical Topology Beyond QTAIM, 193-223, 2023
التفويضات: Government of Spain
Reply to the ‘Comment on “Decoding real space bonding descriptors in valence bond language”’by S. Shaik, P. Hiberty and D. Danovich, Phys. Chem. Chem. Phys., 2019, 21
AM Pendás, E Francisco
Physical Chemistry Chemical Physics 21 (15), 8175-8178, 2019
التفويضات: Government of Spain
Quantitative Determination of the Nature of Intermolecular Bonds by EDA Analysis
A Martín Pendás, JL Casals Sainz, E Francisco
التفويضات: Government of Spain
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