Role of Cancellation of Errors in Ab Initio Calculations: Structure and Energetics of the OH- (H2O) System and Electric Dipole Properties of the Subsystems
Weck, Gaétan, Milet, Anne, Moszynski, Robert, Kochanski, Elise
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.12.2002)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.12.2002)
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Journal Article
Role of Cancellation of Errors in Ab Initio Calculations: Structure and Energetics of the OH- (H2O) System and Electric Dipole Properties of the Subsystems
Weck, Gaétan, Milet, Anne, Moszynski, Robert, Kochanski, Elise
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.05.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.05.2003)
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Journal Article
Fast approximation of the first-order intermolecular interaction energy: ab initio calculations using biorthogonal orbitals
Visentin, Thierry, Cézard, Christine, Weck, Gaétan, Kochanski, Elise, Padel, Lilyane
Published in Journal of molecular structure. Theochem (23.07.2001)
Published in Journal of molecular structure. Theochem (23.07.2001)
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Journal Article