Optimal Selection of Partial Charge Calculation Method for Rapid Estimation of Enthalpies of Formation from Hartree−Fock Total Energy
2002 ◽
Vol 106
(50)
◽
pp. 12139-12150
◽
Keyword(s):
2003 ◽
Vol 107
(5)
◽
pp. 736-744
◽
Keyword(s):
2003 ◽
Vol 107
(41)
◽
pp. 8687-8695
◽
Keyword(s):
2001 ◽
Vol 106
(5)
◽
pp. 319-328
◽
2001 ◽
Vol 105
(10)
◽
pp. 1926-1933
◽
Keyword(s):