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Authors:
Schlegel, HB
Millam, JM
Iyengar, SS
Voth, GA
Daniels, AD
Scuseria, GE
Frisch, MJ
Citation: Hb. Schlegel et al., Ab initio molecular dynamics: Propagating the density matrix with Gaussianorbitals, J CHEM PHYS, 114(22), 2001, pp. 9758-9763
Authors:
Daniels, AD
Scuseria, GE
Farkas, O
Schlegel, HB
Citation: Ad. Daniels et al., Geometry optimization of Kringle 1 of plasminogen using the PM3 semiempirical method, INT J QUANT, 77(1), 2000, pp. 82-89
Citation: Ad. Daniels et Ge. Scuseria, What is the best alternative to diagonalization of the Hamiltonian in large scale semiempirical calculations?, J CHEM PHYS, 110(3), 1999, pp. 1321-1328