Art D Bochevarov

Art D Bochevarov

Schrodinger LLC - - / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4522673
-
person_outline Art D Bochevarov's MOST POPULAR ARTICLES
1-) Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciencesAD Bochevarov, E Harder, TF Hughes, JR Greenwood, DA Braden, ...International Journal of Quantum Chemistry 113 (18), 2110-2142, 201314332013
2-) Automated transition state search and its application to diverse types of organic reactionsLD Jacobson, AD Bochevarov, MA Watson, TF Hughes, D Rinaldo, ...Journal of chemical theory and computation 13 (11), 5780-5797, 20171112017
3-) Multiconformation, Density Functional Theory-Based pKa Prediction in Application to Large, Flexible Organic Molecules with Diverse Functional GroupsAD Bochevarov, MA Watson, JR Greenwood, DM PhilippJournal of chemical theory and computation 12 (12), 6001-6019, 20161012016
4-) Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and …E Rossini, AD Bochevarov, EW KnappACS omega 3 (2), 1653-1662, 20181382018
5-) How will quantum computers provide an industrially relevant computational advantage in quantum chemistry?VE Elfving, BW Broer, M Webber, J Gavartin, MD Halls, KP Lorton, ...arXiv preprint arXiv:2009.12472, 20201192020