Authors
Citation
Bg. Johnson et al., COMPUTING MOLECULAR ELECTROSTATIC POTENTIALS WITH THE PRISM ALGORITHM- REPLY, Chemical physics letters, 218(5-6), 1994, pp. 595-596
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
218
Issue
5-6
Year of publication
1994
Pages
595 - 596
Database
ISI
SICI code
0009-2614(1994)218:5-6<595:CMEPWT>2.0.ZU;2-8
Abstract
This Reply clarifies the similarities and differences between our work
and that of Gadre et al. in computing ab initio molecular electrostat
ic potentials. The principal advance described by us was to cast the P
RISM algorithm for two-electron repulsion integrals in a form suitable
for the calculation of molecular electrostatic potentials.