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Chemistryopen
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March 12, 2026
Extracting Knowledge of 2D-Hybrid Halide Perovskite Materials: A Data Mining Approach
Guadalupe Castro, Miriam Pescador-Rojas, Joel Ireta
The Journal of Physical Chemistry. B
|
May 15, 2008
Energetics of infinite homopolypeptide chains: a new look at commonly used force fields
Evgeni Penev, Joel Ireta, Joan-Emma Shea
Journal of Chemical Information and Modeling
|
March 26, 2021
PSIQUE: Protein Secondary Structure Identification on the Basis of Quaternions and Electronic Structure Calculations
Francisco Adasme-Carreño, Julio Caballero, Joel Ireta
Physical Chemistry Chemical Physics : PCCP
|
July 7, 2017
Modeling cooperative effects in halogen-bonded infinite linear chains
Francisco Adasme-Carreño, Jans Alzate-Morales, Joel Ireta
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
May 21, 2005
Phonon spectra and thermodynamic properties of the infinite polyalanine alpha helix: a density-functional-theory-based harmonic vibrational analysis
Lars Ismer, Joel Ireta, Sixten Boeck, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2022
Activated layered double hydroxides: assessing the surface anion basicity and its connection with the catalytic activity in the cyanoethylation of alcohols
Guadalupe Castro, Jaime S Valente, Marcelo Galván, et al.
Physical Review Letters
|
April 8, 2011
Unraveling the stability of polypeptide helices: critical role of van der Waals interactions
Alexandre Tkatchenko, Mariana Rossi, Volker Blum, et al.
The Journal of Chemical Physics
|
December 17, 2024
Charge-transfer energy through the dipole moment
Javier Carmona-Espíndola, Anaid Flores, Joel Ireta, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 22, 2024
Conformational preference of dipeptide zwitterions in aqueous solvents
Francisco Adasme-Carreño, Alvaro Ochoa-Calle, Marcelo Galván, et al.
Journal of the American Chemical Society
|
December 8, 2005
Structural transitions in the polyalanine alpha-helix under uniaxial strain
Joel Ireta, Jörg Neugebauer, Matthias Scheffler, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 25) with videos related to
Sort By:
Page
of 3
Chemistryopen
|
March 12, 2026
Extracting Knowledge of 2D-Hybrid Halide Perovskite Materials: A Data Mining Approach
Guadalupe Castro, Miriam Pescador-Rojas, Joel Ireta
The Journal of Physical Chemistry. B
|
May 15, 2008
Energetics of infinite homopolypeptide chains: a new look at commonly used force fields
Evgeni Penev, Joel Ireta, Joan-Emma Shea
Journal of Chemical Information and Modeling
|
March 26, 2021
PSIQUE: Protein Secondary Structure Identification on the Basis of Quaternions and Electronic Structure Calculations
Francisco Adasme-Carreño, Julio Caballero, Joel Ireta
Physical Chemistry Chemical Physics : PCCP
|
July 7, 2017
Modeling cooperative effects in halogen-bonded infinite linear chains
Francisco Adasme-Carreño, Jans Alzate-Morales, Joel Ireta
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
May 21, 2005
Phonon spectra and thermodynamic properties of the infinite polyalanine alpha helix: a density-functional-theory-based harmonic vibrational analysis
Lars Ismer, Joel Ireta, Sixten Boeck, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2022
Activated layered double hydroxides: assessing the surface anion basicity and its connection with the catalytic activity in the cyanoethylation of alcohols
Guadalupe Castro, Jaime S Valente, Marcelo Galván, et al.
Physical Review Letters
|
April 8, 2011
Unraveling the stability of polypeptide helices: critical role of van der Waals interactions
Alexandre Tkatchenko, Mariana Rossi, Volker Blum, et al.
The Journal of Chemical Physics
|
December 17, 2024
Charge-transfer energy through the dipole moment
Javier Carmona-Espíndola, Anaid Flores, Joel Ireta, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 22, 2024
Conformational preference of dipeptide zwitterions in aqueous solvents
Francisco Adasme-Carreño, Alvaro Ochoa-Calle, Marcelo Galván, et al.
Journal of the American Chemical Society
|
December 8, 2005
Structural transitions in the polyalanine alpha-helix under uniaxial strain
Joel Ireta, Jörg Neugebauer, Matthias Scheffler, et al.
Page
of 3