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"Determination of energy minima and saddle points using multireference ..."

Michal Dallos et al. (2002)

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DOI: 10.1002/JCC.10054

access: closed

type: Journal Article

metadata version: 2020-05-30

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Michal Dallos, Hans Lischka, Elizete Ventura Do Monte, Michael Hirsch, Wolfgang Quapp:
Determination of energy minima and saddle points using multireference configuration interaction methods in combination with reduced gradient following: The S0 surface of H2CO and the T1 and T2 surfaces of acetylene. J. Comput. Chem. 23(5): 576-583 (2002)

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