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Jose Luis Casals Sainz
Jose Luis Casals Sainz
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Cited by
Year
Dative and Electron‐Sharing Bonding in C2F4
DM Andrada, JL Casals‐Sainz, Á Martín Pendás, G Frenking
Chemistry–A European Journal 24 (36), 9083-9089, 2018
742018
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
552016
On electrostatics, covalency, and chemical dashes: Physical interactions versus chemical bonds
AM Pendás, JL Casals‐Sainz, E Francisco
Chemistry–A European Journal 25 (1), 309-314, 2019
352019
Bond order densities in real space
JL Casals-Sainz, A Fernández-Alarcón, E Francisco, A Costales, ...
The Journal of Physical Chemistry A 124 (2), 339-352, 2019
312019
Beryllium bonding in the light of modern quantum chemical topology tools
JL Casals-Sainz, F Jiménez-Grávalos, A Costales, E Francisco, ...
The Journal of Physical Chemistry A 122 (3), 849-858, 2018
242018
Enlisting potential cathode materials for rechargeable Ca batteries
A Torres, JL Casals, ME Arroyo-de Dompablo
Chemistry of Materials 33 (7), 2488-2497, 2021
232021
Where does electron correlation lie? Some answers from a real space partition
JL Casals‐Sainz, JM Guevara‐Vela, E Francisco, T Rocha‐Rinza, ...
ChemPhysChem 18 (24), 3553-3561, 2017
232017
Efficient implementation of the interacting quantum atoms energy partition of the second‐order Møller–Plesset energy
JL Casals‐Sainz, JM Guevara‐Vela, E Francisco, T Rocha‐Rinza, ...
Journal of computational chemistry 41 (13), 1234-1241, 2020
192020
Partition of electronic excitation energies: the IQA/EOM-CCSD method
A Fernández-Alarcón, JL Casals-Sainz, JM Guevara-Vela, A Costales, ...
Physical Chemistry Chemical Physics 21 (25), 13428-13439, 2019
182019
Tetrel interactions from an interacting quantum atoms perspective
JL Casals-Sainz, A Costales Castro, E Francisco, A Martin Pendas
Molecules 24 (12), 2204, 2019
122019
The activation strain model in the light of real space energy partitions
JL Casals‐Sainz, E Francisco, A Martin Pendas
Zeitschrift für anorganische und allgemeine Chemie 646 (14), 1062-1072, 2020
92020
Exotic bonding regimes uncovered in excited states
JL Casals‐Sainz, J Jara‐Cortés, J Hernández‐Trujillo, JM Guevara‐Vela, ...
Chemistry–A European Journal 25 (52), 12169-12179, 2019
92019
Photochemistry in Real Space: Batho‐and Hypsochromism in the Water Dimer
A Fernández‐Alarcón, JM Guevara‐Vela, JL Casals‐Sainz, A Costales, ...
Chemistry–A European Journal 26 (71), 17035-17045, 2020
82020
DFT performance in the IQA energy partition of small water clusters
F Jiménez-Grávalos, JL Casals-Sainz, E Francisco, T Rocha-Rinza, ...
Theoretical Chemistry Accounts 139 (1), 5, 2020
62020
Electron-pair bonding in real space. Is the charge-shift family supported?
JL Casals-Sainz, F Jiménez-Grávalos, E Francisco, ÁM Pendás
Chemical communications 55 (35), 5071-5074, 2019
62019
Electronegativity equalization: taming an old problem with new tools
JL Casals-Sainz, E Francisco, AM Pendás
Physical Chemistry Chemical Physics 22 (40), 22880-22884, 2020
42020
The nature of the intermolecular interaction in (H 2 X) 2 (X= O, S, Se)
A Fernández-Alarcón, JM Guevara-Vela, JL Casals-Sainz, E Francisco, ...
Physical Chemistry Chemical Physics 23 (16), 10097-10107, 2021
32021
Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space
JL Casals-Sainz, J Jara-Cortés, J Hernández-Trujillo, JM Guevara-Vela, ...
12019
Front Cover: Photochemistry in Real Space: Batho‐and Hypsochromism in the Water Dimer (Chem. Eur. J. 71/2020)
A Fernández‐Alarcón, JM Guevara‐Vela, JL Casals‐Sainz, A Costales, ...
Chemistry–A European Journal 26 (71), 16947-16947, 2020
2020
(Invited) Recent Advances in the DFT-Based Search of Cathode Materials for Ca Batteries
A Torres, JL Casals, J Luque, J Tortajada, ME Arroyo-de Dompablo
Electrochemical Society Meeting Abstracts aimes2018, 517-517, 2018
2018
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