A Combined Systematic-Stochastic Algorithm for the Conformational Search in Flexible Acyclic Molecules

por Ferro-Costas, David, Fernández-Ramos, Antonio
Publicado 2020

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

por Ferro-Costas, David, Mosquera-Lois, Irea, Fernández-Ramos, Antonio
Publicado 2021

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

por Ferro‑Costas, David, Mosquera‑Lois, Irea, Fernandez‑Ramos, Antonio
Publicado 2022

Role of Microsolvation and Quantum Effects in the Accurate Prediction of Kinetic Isotope Effects: The Case of Hydrogen Atom Abstraction in Ethanol by Atomic Hydrogen in Aqueous Sol...

por Kannath, Suraj, Adamczyk, Paweł, Ferro-Costas, David, Fernández-Ramos, Antonio, Major, Dan Thomas, Dybala-Defratyka, Agnieszka
Publicado 2020

Revealing Internal Rotation and (14)N Nuclear Quadrupole Coupling in the Atmospheric Pollutant 4-Methyl-2-nitrophenol: Interplay of Microwave Spectroscopy and Quantum Chemical Calc...

por Baweja, Shefali, Antonelli, Eleonore, Hussain, Safia, Fernández-Ramos, Antonio, Kleiner, Isabelle, Nguyen, Ha Vinh Lam, Sanz, M. Eugenia
Publicado 2023