Software
2022
v2022.1
David Ferro Costas, Antonio Fernández Ramos
A program for the conformational search in flexible acyclic molecules
Check also Aminoacids: Conformers of the twenty proeinogenic aminoacids (TorsiFlex 2021.1)
2021
v2021.5
David Ferro Costas, Donald G. Truhlar, Antonio Fernández Ramos
A thermal rate constant calculator and kinetics Monte Carlo Simulator.
2020
V2020.1
David Ferro Costas, M. Natalia D.S. Cordeiro , Donald Truhlar, Antonio Fernández Ramos
Q2DTor is a program designed to calculate partition functions and thermodynamic properties of molecular systems with two torsional modes by means of the multistructural harmonic oscillator (MS-HO) and the Extended Two-Dimensional Torsion (E2DT) methods.