Antonio Fernández-Ramos

According to our database, Antonio Fernández-Ramos authored at least 7 papers between 2001 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

<i>Polyrate 2023</i>: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement.

Rubén Meana-Pañeda, Jingjing Zheng, Junwei Lucas Bao, Shuxia Zhang, Benjamin J. Lynch, José C. Corchado, Yao-Yuan Chuang, Patton L. Fast, Wei-Ping Hu, Yi-Ping Liu, Gillian C. Lynch, Kiet A. Nguyen, Charles F. Jackels, Antonio Fernández-Ramos, Benjamin A. Ellingson, Vasilios S. Melissas, Jordi Villá, Ivan Rossi, Elena L. Coitiño, Jingzhi Pu, Titus V. Albu, Rui Ming Zhang, Xuefei Xu, Artur Ratkiewicz, Rozeanne Steckler, Bruce C. Garrett, Alan D. Isaacson, Donald G. Truhlar

Comput. Phys. Commun., January, 2024

Unraveling the Catalytic Mechanism of β-Cyclodextrin in the Vitamin D Formation.

David Ferro-Costas, Pedro A. Sánchez-Murcia, Antonio Fernández-Ramos

J. Chem. Inf. Model., 2024

2022

Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids.

David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos

J. Cheminformatics, 2022

2021

TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids.

David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos

J. Cheminformatics, 2021

2020

<i>Pilgrim</i>: A thermal rate constant calculator and a chemical kinetics simulator.

David Ferro-Costas, Donald G. Truhlar, Antonio Fernández-Ramos

Comput. Phys. Commun., 2020

2018

Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules.

David Ferro-Costas, M. Natália Dias Soeiro Cordeiro, Donald G. Truhlar, Antonio Fernández-Ramos

Comput. Phys. Commun., 2018

2001

DOIT: a program to calculate thermal rate constants and mode-specific tunneling splittings directly from quantum-chemical calculations.

Zorka Smedarchina, Antonio Fernández-Ramos, Willem Siebrand

J. Comput. Chem., 2001