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Physical Chemistry Chemical Physics : PCCP
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August 27, 2024
Statistical accuracy of molecular dynamics-based methods for sampling conformational ensembles of disordered proteins
Adolfo Bastida, José Zúñiga, Federico Fogolari, et al.
The Journal of Chemical Physics
|
June 8, 2013
Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water
Marwa H Farag, José Zúñiga, Alberto Requena, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 19, 2017
Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations
Miguel A Soler, José Zúñiga, Alberto Requena, et al.
Chemical Communications (Cambridge, England)
|
June 4, 2020
Formation of self-assembled supramolecular polymers by anti-electrostatic anion-anion and halogen bonding interactions
Fabiola Zapata, Lidia González, Adolfo Bastida, et al.
The Journal of Chemical Physics
|
July 7, 2007
Optimal internal coordinates, vibrational spectrum, and effective Hamiltonian for ozone
José Zúñiga, José Antonio G Picón, Adolfo Bastida, et al.
Journal of Chemical Information and Modeling
|
December 7, 2020
On the Role of Entropy in the Stabilization of α-Helices
Adolfo Bastida, José Zúñiga, Alberto Requena, et al.
The Journal of Chemical Physics
|
June 25, 2005
On the use of optimal internal vibrational coordinates for symmetrical bent triatomic molecules
José Zúñiga, José Antonio G Picón, Adolfo Bastida, et al.
The Journal of Chemical Physics
|
January 11, 2007
The Ehrenfest method with quantum corrections to simulate the relaxation of molecules in solution: equilibrium and dynamics
Adolfo Bastida, Carlos Cruz, José Zúñiga, et al.
Molecules (Basel, Switzerland)
|
May 7, 2025
On the Local Structure of Water Surrounding Inorganic Anions Within Layered Double Hydroxides
Abderrahmane Semmeq, Kanika Anand, Antoine Carof, et al.
The Journal of Chemical Physics
|
November 20, 2004
Surface hopping simulation of the vibrational relaxation of I2 in liquid xenon using the collective probabilities algorithm
Adolfo Bastida, Carlos Cruz, José Zúñiga, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 38) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
August 27, 2024
Statistical accuracy of molecular dynamics-based methods for sampling conformational ensembles of disordered proteins
Adolfo Bastida, José Zúñiga, Federico Fogolari, et al.
The Journal of Chemical Physics
|
June 8, 2013
Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water
Marwa H Farag, José Zúñiga, Alberto Requena, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 19, 2017
Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations
Miguel A Soler, José Zúñiga, Alberto Requena, et al.
Chemical Communications (Cambridge, England)
|
June 4, 2020
Formation of self-assembled supramolecular polymers by anti-electrostatic anion-anion and halogen bonding interactions
Fabiola Zapata, Lidia González, Adolfo Bastida, et al.
The Journal of Chemical Physics
|
July 7, 2007
Optimal internal coordinates, vibrational spectrum, and effective Hamiltonian for ozone
José Zúñiga, José Antonio G Picón, Adolfo Bastida, et al.
Journal of Chemical Information and Modeling
|
December 7, 2020
On the Role of Entropy in the Stabilization of α-Helices
Adolfo Bastida, José Zúñiga, Alberto Requena, et al.
The Journal of Chemical Physics
|
June 25, 2005
On the use of optimal internal vibrational coordinates for symmetrical bent triatomic molecules
José Zúñiga, José Antonio G Picón, Adolfo Bastida, et al.
The Journal of Chemical Physics
|
January 11, 2007
The Ehrenfest method with quantum corrections to simulate the relaxation of molecules in solution: equilibrium and dynamics
Adolfo Bastida, Carlos Cruz, José Zúñiga, et al.
Molecules (Basel, Switzerland)
|
May 7, 2025
On the Local Structure of Water Surrounding Inorganic Anions Within Layered Double Hydroxides
Abderrahmane Semmeq, Kanika Anand, Antoine Carof, et al.
The Journal of Chemical Physics
|
November 20, 2004
Surface hopping simulation of the vibrational relaxation of I2 in liquid xenon using the collective probabilities algorithm
Adolfo Bastida, Carlos Cruz, José Zúñiga, et al.
Page
of 4