Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1166, doi. 10.1002/jcc.10050
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2002 AND VI 23 AND IP 12
Results: 9
1
2
Pattern recognition strategies for molecular surfaces. II. Surface complementarity.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1188, doi. 10.1002/jcc.10087
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- Publication type:
- Article
3
Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1143, doi. 10.1002/jcc.10112
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- Publication type:
- Article
4
An efficient parallel algorithm for the calculation of canonical MP2 energies.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1150, doi. 10.1002/jcc.10071
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- Publication type:
- Article
5
Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1176, doi. 10.1002/jcc.10086
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- Publication type:
- Article
6
Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1157, doi. 10.1002/jcc.10092
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- Publication type:
- Article
7
Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1198, doi. 10.1002/jcc.10067
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- Publication type:
- Article
8
Applicability of MNDO techniques AM1 and PM3 to ring-structured polymers.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1135, doi. 10.1002/jcc.10103
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- Publication type:
- Article
9
Efficiency of the multicanonical simulation method as applied to peptides of increasing size: The heptapeptide deltorphin.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1127, doi. 10.1002/jcc.10113
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- Publication type:
- Article