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Journal of Computational Chemistry
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January 14, 2012
Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors
Florent Barbault, François Maurel
Expert Opinion on Drug Discovery
|
August 21, 2015
Simulation with quantum mechanics/molecular mechanics for drug discovery
Florent Barbault, François Maurel
Physical Chemistry Chemical Physics : PCCP
|
November 4, 2014
A DFT study of a new class of gold nanocluster-photochrome multi-functional switches
Arnaud Fihey, François Maurel, Aurélie Perrier
Physical Chemistry Chemical Physics : PCCP
|
July 2, 2011
Diarylethene-dihydroazulene multimode photochrome: a theoretical spectroscopic investigation
Aurélie Perrier, François Maurel, Denis Jacquemin
The Journal of Physical Chemistry. A
|
September 11, 2007
Theoretical study of the electronic and optical properties of photochromic dithienylethene derivatives connected to small gold clusters
Aurélie Perrier, François Maurel, Jean Aubard
Accounts of Chemical Research
|
June 7, 2012
Single molecule multiphotochromism with diarylethenes
Aurélie Perrier, François Maurel, Denis Jacquemin
Journal of Chemical Theory and Computation
|
August 15, 2024
Boosting the Modeling of Infrared and Raman Spectra of Bulk Phase Chromophores with Machine Learning
Abir Kebabsa, François Maurel, Éric Brémond
Magnetic Resonance in Chemistry : MRC
|
June 2, 2016
Association of symmetrical alkane diols with pyridine: DFT/GIAO calculation of <sup>1</sup> H NMR chemical shifts
John S Lomas, Laurent Joubert, François Maurel
The Journal of Physical Chemistry. A
|
June 8, 2007
TD-DFT investigation of diarylethene dyes with cyclopentene, dihydrothiophene, and dihydropyrrole bridges
Eric A Perpète, François Maurel, Denis Jacquemin
Molecules (Basel, Switzerland)
|
January 11, 2024
New Quinoid Bio-Inspired Materials Using Para-Azaquinodimethane Moiety
Walaa Zwaihed, François Maurel, Marwan Kobeissi, et al.
Page
of 8
Search research articles
Search
Showing results (1-10 of 71) with videos related to
Sort By:
Page
of 8
Journal of Computational Chemistry
|
January 14, 2012
Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors
Florent Barbault, François Maurel
Expert Opinion on Drug Discovery
|
August 21, 2015
Simulation with quantum mechanics/molecular mechanics for drug discovery
Florent Barbault, François Maurel
Physical Chemistry Chemical Physics : PCCP
|
November 4, 2014
A DFT study of a new class of gold nanocluster-photochrome multi-functional switches
Arnaud Fihey, François Maurel, Aurélie Perrier
Physical Chemistry Chemical Physics : PCCP
|
July 2, 2011
Diarylethene-dihydroazulene multimode photochrome: a theoretical spectroscopic investigation
Aurélie Perrier, François Maurel, Denis Jacquemin
The Journal of Physical Chemistry. A
|
September 11, 2007
Theoretical study of the electronic and optical properties of photochromic dithienylethene derivatives connected to small gold clusters
Aurélie Perrier, François Maurel, Jean Aubard
Accounts of Chemical Research
|
June 7, 2012
Single molecule multiphotochromism with diarylethenes
Aurélie Perrier, François Maurel, Denis Jacquemin
Journal of Chemical Theory and Computation
|
August 15, 2024
Boosting the Modeling of Infrared and Raman Spectra of Bulk Phase Chromophores with Machine Learning
Abir Kebabsa, François Maurel, Éric Brémond
Magnetic Resonance in Chemistry : MRC
|
June 2, 2016
Association of symmetrical alkane diols with pyridine: DFT/GIAO calculation of <sup>1</sup> H NMR chemical shifts
John S Lomas, Laurent Joubert, François Maurel
The Journal of Physical Chemistry. A
|
June 8, 2007
TD-DFT investigation of diarylethene dyes with cyclopentene, dihydrothiophene, and dihydropyrrole bridges
Eric A Perpète, François Maurel, Denis Jacquemin
Molecules (Basel, Switzerland)
|
January 11, 2024
New Quinoid Bio-Inspired Materials Using Para-Azaquinodimethane Moiety
Walaa Zwaihed, François Maurel, Marwan Kobeissi, et al.
Page
of 8