28 citations · 28 across the 3 of their papers we have counts for
4 papers
Computational Insights into the Chemical Reaction Networks of C3H6O3,C3H7O3 and C2H5O2: Implications for the Interstellar Medium
Anxo Lema-Saavedra, Antonio Fernández-Ramos, Emilio Martínez-Núñez
The formation of complex organic molecules in the interstellar medium (ISM) is central to astrochemistry and prebiotic chemistry, as these species may act as precursors to biomolec…
Gas-phase formation of glycolonitrile in the interstellar medium
Luis Guerrero-Mendez, Anxo Lema-Saavedra, Elena Jimenez +2
Our automated reaction discovery program, AutoMeKin, has been utilized to investigate the formation of glycolonitrile (HOCHCN) in the gas phase under the low temperatures of…
ChemDyME: Kinetically Steered, Automated Mechanism Generation Through Combined Molecular Dynamics and Master Equation Calculations
Robin J. Shannon, Emilio Martinez Nunez, Dmitrii V. Shalashilin +1
In many scientific fields, there is an interest in understanding the way in which complex chemical networks evolve. The chemical networks which researchers focus upon, have become…
Enhancing automated reaction discovery with boxed molecular dynamics in energy space
Rafael A. Jara-Toro, Gustavo A. Pino, David R. Glowacki +2
The rare event acceleration method BXDE is interfaced in the present work with the automated reaction discovery method AutoMeKin. To test the efficiency of the combined AutoMeKin-B…