José Alejandre - Publications, H-index & Citations

José Alejandre

universidad autonoma metropolitana - mexico

36H指数

112论文数

5.4K被引数

收录论文 47

发表时间

ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-10-08

PREAI

Carmona-Espindola, Javier; Garcia-Melgarejo, Valeria; Nunez-Rojas, Edgar; Mendoza, Samantha; Garcia, Abraham; Gazquez, Jose L.; Alejandre, Jose

Extraction of N- and S-compounds in gasoline and diesel from ionic liquids: A molecular dynamics study

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2024-03-01

PREAI

Nunez-Rojas, Edgar; Alarcon, Karen Gonzalez; Alejandre, Jose

Molecular dynamics simulations for liquid electrolytes of propylene carbonate with LiTFSI, LiPF6, and LiBF4 salts LiTFSI，LiPF6和LiBF4盐对碳酸丙烯酯液体电解质的分子动力学模拟

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2023-11-01

PREAI

Nunez-Rojas, Edgar; Gonzalez, Ignacio; Guzman-Gonzalez, Gregorio; Alejandre, Jose

Transferable united atom model for carbohydrates with explicit water: Glucose and sucrose

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2023-09-01

PREAI

Luis Prado-Arroyo, Jose; Garcia-Melgarejo, Valeria; Alejandre, Jose

Molecular Dynamics Studies of Aromatic Guests in Three Isostructural Inclusion Compounds with Molecular Boron-Nitrogen Hosts

CRYSTAL GROWTH & DESIGN

IF3.4

2021-11-19

PREAI

Cecilia Vargas-Olvera, Eva; Jose Salas-Sanchez, Frank; Colin-Molina, Abraham; Perez-Estrada, Salvador; Rodriguez-Molina, Braulio; Alejandre, Jose; Campillo-Alvarado, Gonzalo; MacGillivray, Leonard R.; Hopfl, Herbert

United atom model for ionic liquids: UAM- IL

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2021-05-01

PREAI

Martinez-Jimenez, Manuel; Serrano-Ocana, Martha; Alejandre, Jose

United atom model via interactions with explicit water (UAMI-EW): Alcohols and ketones

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2021-02-01

PREAI

Garcia-Melgarejo, Valeria; Nunez-Rojas, Edgar; Alejandre, Jose

Parametrization with Explicit Water of Solvents Used in Lithium-Ion Batteries: Cyclic Carbonates and Linear Ethers

JOURNAL OF PHYSICAL CHEMISTRY B

IF2.9

2020-05-19

PREAI

Garcia-Melgarejo, Valeria; Alejandre, Jose; Nunez-Rojas, Edgar

Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-03-30

PREAI

Carmona-Espindola, Javier; Nunez-Rojas, Edgar; Garcia-Melgarejo, Valeria; Gazquez, Jose L.; Alejandre, Jose

Reversible and efficient SO2 capture by a chemically stable MOF CAU-10: experiments and simulations

DALTON TRANSACTIONS

IF3.3

2020-01-01

PREAI

Antonio Zarate, J.; Dominguez-Ojeda, Eduardo; Sanchez-Gonzalez, Eli; Martinez-Ahumada, Eva; Lopez-Cervantes, Valeria B.; Williams, Daryl R.; Martis, Vladimir; Ibarra, Ilich A.; Alejandre, Jose

Force Field Parametrization from the Hirshfeld Molecular Electronic Density

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-10-02

PREAI

Perez de la Luz, Alexander; Alberto Aguilar-Pineda, Jorge; Guillermo Mendez-Bermudez, Jose; Alejandre, Jose

Molecular dynamics simulations to separate benzene from hydrocarbons using polar and ionic liquid solvents

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2018-01-01

PREAI

Nunez-Rojas, Edgar; Flores-Ruiz, Hugo M.; Alejandre, Jose