TY - BOOK AU - Ganesh, V AU - Gadre, Shridhar R TI - Ab initio treatment of large molecular systems algorithm development, parallelization and applications PY - 2008/// CY - Pune PB - Savitribai Phule Pune University KW - Quantum chemistry codes||Cardinality guided molecular tailoring approach||Geometry optimization||Hessian matrix||Webprop interface UR - http://lib.unipune.ac.in:8080/xmlui/handle/123456789/2212 ER -