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| Gaussian 03W MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Revision c 2, 1994-2003, 2004 | 595* | 2004 |
| Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals HB Schlegel, JM Millam, SS Iyengar, GA Voth, AD Daniels, GE Scuseria, ... The Journal of Chemical Physics 114 (22), 9758-9763, 2001 | 595 | 2001 |
| Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics HB Schlegel, SS Iyengar, X Li, JM Millam, GA Voth, GE Scuseria, ... The Journal of chemical physics 117 (19), 8694-8704, 2002 | 519 | 2002 |
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| Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. II. Generalizations based on mass-weighting, idempotency, energy … SS Iyengar, HB Schlegel, JM Millam, G A. Voth, GE Scuseria, MJ Frisch The Journal of Chemical Physics 115 (22), 10291-10302, 2001 | 445 | 2001 |
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