Tag: software

GoodVibes: automated thermochemistry for heterogeneous computational chemistry data.

Luchini, G.; Alegre-Requena, J. V.; Funes-Ardoiz, I.; Paton, R. S. F1000Research 2020, 9, 291

Development of a True Transition State Force Field (TTSFF) from Quantum Mechanical Calculations.

Madarász, A.; Berta, D.; Paton, R. S. J. Chem. Theor. Comput. 2016, 12, 1833–1844