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JCC
2000
33views more  JCC 2000»
13 years 5 months ago
Q-Chem 2.0: a high-performance ab initio electronic structure program package
Jing Kong, Christopher A. White, Anna I. Krylov, D...
JCC
2010
74views more  JCC 2010»
13 years 4 months ago
A first-order system least-squares finite element method for the Poisson-Boltzmann equation
The Poisson-Boltzmann equation is an important tool in modeling solvent in biomolecular systems. In this paper, we focus on numerical approximations to the electrostatic potential...
Stephen D. Bond, Jehanzeb Hameed Chaudhry, Eric C....