Contains the keyword polarizable continuum model
Modeling Solvent Effects on Electronic Excited States. J Phys Chem Lett. 2011;2:2184-92. Abstract
Fully analytic energy gradient in the fragment molecular orbital method. J Chem PhysJ Chem Phys. 2011;134:124115 . Abstract
Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation. Journal of Computational Chemistry. 2010;31:778-90. Abstract
A combined effective fragment potential-fragment molecular orbital method. I. The energy expression and initial applications. Journal of Chemical Physics. 2009;131:024101. Abstract
















