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Chemistryopen
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April 17, 2019
Molecular Dynamics Insights for Screening the Ability of Polymers to Remove Pesticides from Water
F G A Estrada, J M C Marques, A J M Valente
Journal of Computational Chemistry
|
November 3, 2009
Generation and characterization of low-energy structures in atomic clusters
J M C Marques, A A C C Pais, P E Abreu
Physical Chemistry Chemical Physics : PCCP
|
January 11, 2021
Modeling microsolvation clusters with electronic-structure calculations guided by analytical potentials and predictive machine learning techniques
W S Jesus, F V Prudente, J M C Marques, et al.
The Journal of Physical Chemistry. A
|
July 15, 2006
Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects
J M C Marques, E Martínez-Núñez, A Fernandez-Ramos, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 7, 2020
A thermodynamic view on the microsolvation of ions by rare gas: application to Li<sup>+</sup> with argon
M N Guimarães, M M de Almeida, J M C Marques, et al.
The Journal of Physical Chemistry. A
|
April 21, 2012
Alkali-ion microsolvation with benzene molecules
J M C Marques, J L Llanio-Trujillo, M Albertí, et al.
The Journal of Physical Chemistry. A
|
July 23, 2013
Microsolvation of the potassium ion with aromatic rings: comparison between hexafluorobenzene and benzene
J M C Marques, J L Llanio-Trujillo, M Albertí, et al.
Journal of Chemical Information and Modeling
|
December 9, 2010
How different are two chemical structures?
J M C Marques, J L Llanio-Trujillo, P E Abreu, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2021
Aggregation of coronene: the effect of carboxyl and amine functional groups
C F O Correia, J M C Marques, M Bartolomei, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
March 22, 2017
A global optimization perspective on molecular clusters
J M C Marques, F B Pereira, J L Llanio-Trujillo, et al.
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of 2
Search research articles
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Showing results (11-20 of 20) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 20 results.
Chemistryopen
|
April 17, 2019
Molecular Dynamics Insights for Screening the Ability of Polymers to Remove Pesticides from Water
F G A Estrada, J M C Marques, A J M Valente
Journal of Computational Chemistry
|
November 3, 2009
Generation and characterization of low-energy structures in atomic clusters
J M C Marques, A A C C Pais, P E Abreu
Physical Chemistry Chemical Physics : PCCP
|
January 11, 2021
Modeling microsolvation clusters with electronic-structure calculations guided by analytical potentials and predictive machine learning techniques
W S Jesus, F V Prudente, J M C Marques, et al.
The Journal of Physical Chemistry. A
|
July 15, 2006
Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects
J M C Marques, E Martínez-Núñez, A Fernandez-Ramos, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 7, 2020
A thermodynamic view on the microsolvation of ions by rare gas: application to Li<sup>+</sup> with argon
M N Guimarães, M M de Almeida, J M C Marques, et al.
The Journal of Physical Chemistry. A
|
April 21, 2012
Alkali-ion microsolvation with benzene molecules
J M C Marques, J L Llanio-Trujillo, M Albertí, et al.
The Journal of Physical Chemistry. A
|
July 23, 2013
Microsolvation of the potassium ion with aromatic rings: comparison between hexafluorobenzene and benzene
J M C Marques, J L Llanio-Trujillo, M Albertí, et al.
Journal of Chemical Information and Modeling
|
December 9, 2010
How different are two chemical structures?
J M C Marques, J L Llanio-Trujillo, P E Abreu, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2021
Aggregation of coronene: the effect of carboxyl and amine functional groups
C F O Correia, J M C Marques, M Bartolomei, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
March 22, 2017
A global optimization perspective on molecular clusters
J M C Marques, F B Pereira, J L Llanio-Trujillo, et al.
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of 2