Large-scale SCF, DFT and local MP2 electronic structure calculations on clusters of inexpensive computers: Structures of phthalocyanines, and NMR shieldings in peptides.

by Pulay, P.; Baker, J.; Wolinski, K.; Magyarfalvi, G.; Shirel, M. L.

Journal
Abstracts of Papers of the American Chemical Society
Volume
215
Year
1998
Start Page
PHYS 262
URL
https://www.webofscience.com/wos/woscc/full-record/WOS:000072414500738
ISBN/ISSN
0065-7727