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The Journal of Physical Chemistry. B
|
January 23, 2025
Mechanical Modulation of S<sub>0</sub>-S<sub>1</sub> and S<sub>0</sub>-T<sub>1</sub> Energy Gaps of 11-<i>cis</i> and All-<i>trans</i> Retinal Schiff Bases
Alejandro Jodra, Luis Manuel Frutos
The Journal of Chemical Physics
|
September 24, 2005
A new algorithm for predicting triplet-triplet energy-transfer activated complex coordinate in terms of accurate potential-energy surfaces
Luis Manuel Frutos, Obis Castaño
Metallomics : Integrated Biometal Science
|
January 8, 2020
How mechanical forces can modulate the metal affinity and selectivity of metal binding sites in proteins
Todor Dudev, Luis Manuel Frutos, Obis Castaño
The Journal of Chemical Physics
|
July 9, 2021
The concept of substituent-induced force in the rationale of substituent effect
Miguel Ángel Fernández-González, Luis Manuel Frutos
Journal of Chemical Theory and Computation
|
September 5, 2023
An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference
Alejandro Jodra, Cristina García-Iriepa, Luis Manuel Frutos
The Journal of Organic Chemistry
|
September 27, 2022
Mechanical Activation of Forbidden Photoreactivity in Oxa-di-π-methane Rearrangement
Alejandro Jodra, Cristina García-Iriepa, Luis Manuel Frutos
Journal of Chemical Theory and Computation
|
July 17, 2025
Computational Model to Predict Reactivity under Ball-Milling Conditions
Raúl De Armas, Manuel Temprado, Luis Manuel Frutos
Journal of Chemical Theory and Computation
|
January 8, 2025
A Phenomenological Perturbation-like Approach for Prediction of Molecular Properties in Large Libraries of Polysubstituted Derivatives: Application to Molecular Solar Thermal Systems
Alba Peinado, Alejandro Jodra, Claudia Cebrián, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Photostability Mechanisms in Human γB-Crystallin: Role of the Tyrosine Corner Unveiled by Quantum Mechanics and Hybrid Quantum Mechanics/Molecular Mechanics Methodologies
Marco Marazzi, Isabelle Navizet, Roland Lindh, et al.
Journal of Computational Chemistry
|
April 12, 2002
Role of bifurcation in the bond shifting of cyclooctatetraene
Obis Castaño, Raúl Palmeiro, Luis Manuel Frutos, et al.
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of 5
Search research articles
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Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. B
|
January 23, 2025
Mechanical Modulation of S<sub>0</sub>-S<sub>1</sub> and S<sub>0</sub>-T<sub>1</sub> Energy Gaps of 11-<i>cis</i> and All-<i>trans</i> Retinal Schiff Bases
Alejandro Jodra, Luis Manuel Frutos
The Journal of Chemical Physics
|
September 24, 2005
A new algorithm for predicting triplet-triplet energy-transfer activated complex coordinate in terms of accurate potential-energy surfaces
Luis Manuel Frutos, Obis Castaño
Metallomics : Integrated Biometal Science
|
January 8, 2020
How mechanical forces can modulate the metal affinity and selectivity of metal binding sites in proteins
Todor Dudev, Luis Manuel Frutos, Obis Castaño
The Journal of Chemical Physics
|
July 9, 2021
The concept of substituent-induced force in the rationale of substituent effect
Miguel Ángel Fernández-González, Luis Manuel Frutos
Journal of Chemical Theory and Computation
|
September 5, 2023
An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference
Alejandro Jodra, Cristina García-Iriepa, Luis Manuel Frutos
The Journal of Organic Chemistry
|
September 27, 2022
Mechanical Activation of Forbidden Photoreactivity in Oxa-di-π-methane Rearrangement
Alejandro Jodra, Cristina García-Iriepa, Luis Manuel Frutos
Journal of Chemical Theory and Computation
|
July 17, 2025
Computational Model to Predict Reactivity under Ball-Milling Conditions
Raúl De Armas, Manuel Temprado, Luis Manuel Frutos
Journal of Chemical Theory and Computation
|
January 8, 2025
A Phenomenological Perturbation-like Approach for Prediction of Molecular Properties in Large Libraries of Polysubstituted Derivatives: Application to Molecular Solar Thermal Systems
Alba Peinado, Alejandro Jodra, Claudia Cebrián, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Photostability Mechanisms in Human γB-Crystallin: Role of the Tyrosine Corner Unveiled by Quantum Mechanics and Hybrid Quantum Mechanics/Molecular Mechanics Methodologies
Marco Marazzi, Isabelle Navizet, Roland Lindh, et al.
Journal of Computational Chemistry
|
April 12, 2002
Role of bifurcation in the bond shifting of cyclooctatetraene
Obis Castaño, Raúl Palmeiro, Luis Manuel Frutos, et al.
Page
of 5