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Journal of Computational Chemistry
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July 8, 2010
Gabedit--a graphical user interface for computational chemistry softwares
Abdul-Rahman Allouche
The Journal of Chemical Physics
|
March 27, 2012
Transition dipole moments between the low-lying Ω(g,u)(+∕-) states of the Rb2 and Cs2 molecules
Abdul-Rahman Allouche, Monique Aubert-Frécon
Journal of Computational Chemistry
|
March 24, 2021
Non long-range corrected density functionals incorrectly describe the intensity of the CH stretching band in polycyclic aromatic hydrocarbons
Hugo Geindre, Abdul-Rahman Allouche, Daniel Peláez
The Journal of Physical Chemistry. A
|
October 29, 2014
TDDFT assessment of functionals for optical 0-0 transitions in small radicals
Loïc Barnes, Saleh Abdul-Al, Abdul-Rahman Allouche
Journal of Chemical Theory and Computation
|
February 1, 2020
Combining Quantum Mechanics and Machine-Learning Calculations for Anharmonic Corrections to Vibrational Frequencies
Julien Lam, Saleh Abdul-Al, Abdul-Rahman Allouche
The Journal of Physical Chemistry. B
|
November 20, 2010
Rapid, accurate and simple model to predict NMR chemical shifts for biological molecules
Zeinab Atieh, Monique Aubert-Frécon, Abdul-Rahman Allouche
Journal of the American Chemical Society
|
September 27, 2008
Formation and spectroscopy of a tryptophan radical containing peptide in the gas phase
Laure Joly, Rodolphe Antoine, Abdul-Rahman Allouche, et al.
The Journal of Physical Chemistry. A
|
April 8, 2025
Neural Network Atomistic Potential for Pyrophyllite Clay Simulations
Chloe Sanz, Abdul-Rahman Allouche, Colin Bousige, et al.
Journal of Molecular Modeling
|
November 4, 2016
Fast and accurate hybrid QM//MM approach for computing anharmonic corrections to vibrational frequencies
Loïc Barnes, Baptiste Schindler, Isabelle Compagnon, et al.
Journal of the American Chemical Society
|
December 8, 2023
Neural Network Approach for a Rapid Prediction of Metal-Supported Borophene Properties
Pierre Mignon, Abdul-Rahman Allouche, Neil Richard Innis, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 32) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
July 8, 2010
Gabedit--a graphical user interface for computational chemistry softwares
Abdul-Rahman Allouche
The Journal of Chemical Physics
|
March 27, 2012
Transition dipole moments between the low-lying Ω(g,u)(+∕-) states of the Rb2 and Cs2 molecules
Abdul-Rahman Allouche, Monique Aubert-Frécon
Journal of Computational Chemistry
|
March 24, 2021
Non long-range corrected density functionals incorrectly describe the intensity of the CH stretching band in polycyclic aromatic hydrocarbons
Hugo Geindre, Abdul-Rahman Allouche, Daniel Peláez
The Journal of Physical Chemistry. A
|
October 29, 2014
TDDFT assessment of functionals for optical 0-0 transitions in small radicals
Loïc Barnes, Saleh Abdul-Al, Abdul-Rahman Allouche
Journal of Chemical Theory and Computation
|
February 1, 2020
Combining Quantum Mechanics and Machine-Learning Calculations for Anharmonic Corrections to Vibrational Frequencies
Julien Lam, Saleh Abdul-Al, Abdul-Rahman Allouche
The Journal of Physical Chemistry. B
|
November 20, 2010
Rapid, accurate and simple model to predict NMR chemical shifts for biological molecules
Zeinab Atieh, Monique Aubert-Frécon, Abdul-Rahman Allouche
Journal of the American Chemical Society
|
September 27, 2008
Formation and spectroscopy of a tryptophan radical containing peptide in the gas phase
Laure Joly, Rodolphe Antoine, Abdul-Rahman Allouche, et al.
The Journal of Physical Chemistry. A
|
April 8, 2025
Neural Network Atomistic Potential for Pyrophyllite Clay Simulations
Chloe Sanz, Abdul-Rahman Allouche, Colin Bousige, et al.
Journal of Molecular Modeling
|
November 4, 2016
Fast and accurate hybrid QM//MM approach for computing anharmonic corrections to vibrational frequencies
Loïc Barnes, Baptiste Schindler, Isabelle Compagnon, et al.
Journal of the American Chemical Society
|
December 8, 2023
Neural Network Approach for a Rapid Prediction of Metal-Supported Borophene Properties
Pierre Mignon, Abdul-Rahman Allouche, Neil Richard Innis, et al.
Page
of 4