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The Journal of Chemical Physics
|
September 18, 2007
Combining two-body density correlation functionals with multiconfigurational wave functions using natural orbitals and occupation numbers
Angel J Pérez-Jiménez, José M Pérez-Jordá, Juan C Sancho-García
The Journal of Physical Chemistry Letters
|
September 29, 2018
Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead
Y Olivier, J-C Sancho-Garcia, L Muccioli, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Is There Still Room for Parameter Free Double Hybrids? Performances of PBE0-DH and B2PLYP over Extended Benchmark Sets
Diane Bousquet, Eric Brémond, Juan C Sancho-García, et al.
The Journal of Physical Chemistry. A
|
April 14, 2020
Nature (Hole or Electron) of Charge-Transfer Ability of Substituted Cyclopyrenylene Hoop-Shaped Compounds
M Moral, A Navarro, A J Pérez-Jiménez, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 4, 2022
Stability of the polyynic form of C<sub>18</sub>, C<sub>22</sub>, C<sub>26</sub>, and C<sub>30</sub> nanorings: a challenge tackled by range-separated double-hybrid density functionals
E Brémond, A J Pérez-Jiménez, C Adamo, et al.
European Journal of Pharmacology
|
March 14, 2001
Effects of verapamil and elgodipine on isoprenaline-induced metabolic responses in rabbits
M J García-Barrado, C Sancho, M C Iglesias-Osma, et al.
The Journal of Chemical Physics
|
October 15, 2005
Torsional potential of 4,4'-bipyridine: ab initio analysis of dispersion and vibrational effects
Angel J Pérez-Jiménez, Juan C Sancho-García, José M Pérez-Jordá
Physical Chemistry Chemical Physics : PCCP
|
January 28, 2026
Contemporary DFT: learning from traditional and recent trends for the development and assessment of accurate exchange-correlation functionals
E Brémond, A J Pérez-Jiménez, C Adamo, et al.
Journal of Vascular and Interventional Radiology : JVIR
|
September 25, 1999
Embolization of an anomalous bronchial artery aneurysm in a patient with agenesis of the left pulmonary artery
C Sancho, J Domínguez, E Escalante, et al.
The Journal of Chemical Physics
|
June 15, 2015
The diene isomerization energies dataset: A difficult test for double-hybrid density functionals?
M Wykes, A J Pérez-Jiménez, C Adamo, et al.
Page
of 13
Search research articles
Search
Showing results (41-50 of 127) with videos related to
Sort By:
Page
of 13
The Journal of Chemical Physics
|
September 18, 2007
Combining two-body density correlation functionals with multiconfigurational wave functions using natural orbitals and occupation numbers
Angel J Pérez-Jiménez, José M Pérez-Jordá, Juan C Sancho-García
The Journal of Physical Chemistry Letters
|
September 29, 2018
Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead
Y Olivier, J-C Sancho-Garcia, L Muccioli, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Is There Still Room for Parameter Free Double Hybrids? Performances of PBE0-DH and B2PLYP over Extended Benchmark Sets
Diane Bousquet, Eric Brémond, Juan C Sancho-García, et al.
The Journal of Physical Chemistry. A
|
April 14, 2020
Nature (Hole or Electron) of Charge-Transfer Ability of Substituted Cyclopyrenylene Hoop-Shaped Compounds
M Moral, A Navarro, A J Pérez-Jiménez, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 4, 2022
Stability of the polyynic form of C<sub>18</sub>, C<sub>22</sub>, C<sub>26</sub>, and C<sub>30</sub> nanorings: a challenge tackled by range-separated double-hybrid density functionals
E Brémond, A J Pérez-Jiménez, C Adamo, et al.
European Journal of Pharmacology
|
March 14, 2001
Effects of verapamil and elgodipine on isoprenaline-induced metabolic responses in rabbits
M J García-Barrado, C Sancho, M C Iglesias-Osma, et al.
The Journal of Chemical Physics
|
October 15, 2005
Torsional potential of 4,4'-bipyridine: ab initio analysis of dispersion and vibrational effects
Angel J Pérez-Jiménez, Juan C Sancho-García, José M Pérez-Jordá
Physical Chemistry Chemical Physics : PCCP
|
January 28, 2026
Contemporary DFT: learning from traditional and recent trends for the development and assessment of accurate exchange-correlation functionals
E Brémond, A J Pérez-Jiménez, C Adamo, et al.
Journal of Vascular and Interventional Radiology : JVIR
|
September 25, 1999
Embolization of an anomalous bronchial artery aneurysm in a patient with agenesis of the left pulmonary artery
C Sancho, J Domínguez, E Escalante, et al.
The Journal of Chemical Physics
|
June 15, 2015
The diene isomerization energies dataset: A difficult test for double-hybrid density functionals?
M Wykes, A J Pérez-Jiménez, C Adamo, et al.
Page
of 13