Arteum D. Bochevarov
机构：Schrodinger (United States) · ORCID：0000-0002-0376-8432
发表论文 35 篇 · 总被引 3027 次 · h-index 18
代表论文
- Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences (2013 · International Journal of Quantum Chemistry · 被引 1803)
- Automated Transition State Search and Its Application to Diverse Types of Organic Reactions (2017 · Journal of Chemical Theory and Computation · 被引 177)
- Multiconformation, Density Functional Theory-Based p<i>K</i><sub>a</sub> Prediction in Application to Large, Flexible Organic Molecules with Diverse Functional Groups (2016 · Journal of Chemical Theory and Computation · 被引 160)
- Empirical Conversion of p<i>K</i><sub>a</sub> Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol (2018 · ACS Omega · 被引 155)
- Parameterization of a B3LYP Specific Correction for Noncovalent Interactions and Basis Set Superposition Error on a Gigantic Data Set of CCSD(T) Quality Noncovalent Interaction Energies (2011 · Journal of Chemical Theory and Computation · 被引 94)
- How will quantum computers provide an industrially relevant computational advantage in quantum chemistry? (2020 · arXiv (Cornell University) · 被引 65)