Combining Multiconfigurational Wave Functions with Density Functional Estimates of Dynamic Electron Correlation. 2. Effect of Improved Valence Correlation
Malcolm, Nathaniel O. J, McDouall, Joseph J. W
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.10.1997)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.10.1997)
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Journal Article
Dynamic Electron Correlation: A Fragments-in-Molecules Approach
Malcolm, Nathaniel O. J, McDouall, Joseph J. W
Published in Journal of physical chemistry (1952) (01.12.1994)
Published in Journal of physical chemistry (1952) (01.12.1994)
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Journal Article
On the Full Topology of the Laplacian of the Electron Density II: Umbrella Inversion of the Ammonia Molecule
Malcolm, Nathaniel O. J., Popelier, Paul L. A.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.08.2001)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.08.2001)
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Journal Article
Assessment of the Langevin dipoles solvation model for Hartree-Fock wavefunctions
Malcolm, Nathaniel O.J., McDouall, Joseph J.W.
Published in Journal of molecular structure. Theochem (31.07.1996)
Published in Journal of molecular structure. Theochem (31.07.1996)
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Journal Article