Analytical first derivatives of molecular surfaces with respect to nuclear coordinates.

Maurizio Cossi Benedetta Mennucci Roberto Cammi Analytical first derivatives of molecular surfaces with respect to nuclear coordinates. 57-73 1996 17 Journal of Computational Chemistry 1 http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1<57::AID-JCC6>3.0.CO;2-# db/journals/jcc/jcc17.html#CossiMC96