Author of the publication

W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods.

, , and . Journal of Computational Chemistry, 38 (24): 2063-2075 (2017)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures., , and . Journal of Computational Chemistry, 37 (1): 49-58 (2016)A computational foray into the mechanism and catalysis of the adduct formation reaction of guanine with crotonaldehyde., and . Journal of Computational Chemistry, 40 (4): 630-637 (2019)Computational design of bio-inspired carnosine-based HOBr antioxidants., , and . Journal of Computer-Aided Molecular Design, 31 (10): 905-913 (2017)How reliable is DFT in predicting relative energies of polycyclic aromatic hydrocarbon isomers? comparison of functionals from different rungs of jacob's ladder.. Journal of Computational Chemistry, 38 (6): 370-382 (2017)W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods., , and . Journal of Computational Chemistry, 38 (24): 2063-2075 (2017)Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies., and . Journal of Computational Chemistry, 36 (9): 622-632 (2015)Kinetics and Thermodynamics of Reactions Involving Criegee Intermediates: An Assessment of Density Functional Theory and Ab Initio Methods Through Comparison with CCSDT(Q)/CBS Data., and . Journal of Computational Chemistry, 41 (4): 328-339 (2020)