Adrian W. Lange, Ph.D.
Affiliations: | 2012 | Chemistry | Ohio State University, Columbus, Columbus, OH |
Area:
Electronic structure theory and molecular quantum mechanicsGoogle:
"Adrian Lange"Mean distance: 9.69 | S | N | B | C | P |
Parents
Sign in to add mentor| John M. Herbert | grad student | 2012 | Ohio State | |
| (Multi-layer methods for quantum chemistry in the condensed phase: Combining density functional theory, molecular mechanics, and continuum solvation models.) | ||||
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Publications
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| Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801 |
| Lange AW, Herbert JM, Albrecht BJ, et al. (2019) Intrinsically smooth discretisation of Connolly's solvent-excluded molecular surface Molecular Physics. 118: e1644384 |
| Shao Y, Gan Z, Epifanovsky E, et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215 |
| Lange AW, Voth GA. (2013) Multi-state Approach to Chemical Reactivity in Fragment Based Quantum Chemistry Calculations. Journal of Chemical Theory and Computation. 9: 4018-25 |
| Lange AW, Herbert JM. (2012) Improving Generalized Born Models by Exploiting Connections to Polarizable Continuum Models. II. Corrections for Salt Effects. Journal of Chemical Theory and Computation. 8: 4381-4392 |
| Lange AW, Herbert JM. (2012) Improving Generalized Born Models by Exploiting Connections to Polarizable Continuum Models. I. An Improved Effective Coulomb Operator. Journal of Chemical Theory and Computation. 8: 1999-2011 |
| Lange AW, Herbert JM. (2012) Improving generalized born models by exploiting connections to polarizable continuum models. II. Corrections for salt effects Journal of Chemical Theory and Computation. 8: 4381-4392 |
| Lange AW, Herbert JM. (2012) Improving generalized born models by exploiting connections to polarizable continuum models. I. An improved effective coulomb operator Journal of Chemical Theory and Computation. 8: 1999-2011 |
| Lange AW, Herbert JM. (2011) A simple polarizable continuum solvation model for electrolyte solutions. The Journal of Chemical Physics. 134: 204110 |
| Lange AW, Herbert JM. (2011) Response to Comment on A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: The switching/Gaussian approach' [J. Chem. Phys. 134, 117101 (2011)] Journal of Chemical Physics. 134 |