5 citations · 6 across the 3 of their papers we have counts for
3 papers
C60+C60 molecular bonding revisited and expanded
Jorge Laranjeira, Karol Strutynski, Leonel Marques +2
Several dimerization products of fullerene C60 are presented and thoroughly characterized with a quantum chemical DFT model augmented by dispersion. We reanalyze and expand signifi…
AutoMeKin2021: An open-source program for automated reaction discovery
Emilio Martínez-Núñez, George L. Barnes, David R. Glowacki +8
AutoMeKin2021 is an updated version of tsscds2018, a program for the automated discovery of reaction mechanisms (J. Comput. Chem. 2018, 39, 1922-1930). This release features a numb…
Predissociation of methyl cyanoformate: The HCN and HNC channels
Michael J. Wilhelm, Emilio Martínez-Núñez, Jesús González-Vázquez +3
We present a combined experimental and theoretical investigation of the 193 nm photolysis of the cyano-ester, methyl cyanoformate (MCF). Specifically, nanosecond time-resolved infr…