An optimized AM1/MST method for the MST-SCRF representation of solvated systems.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 847, doi. 10.1002/jcc.540150806
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1994 AND VI 15 AND IP 8
Results: 12
1
2
Study of localized molecular orbitals using group theory methods and its approach to the many-electron correlation problem. IV. The symmetry-adaptation of many-center integrals and hamiltonian matrix elements in MCSCF calculations.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 858, doi. 10.1002/jcc.540150807
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- Publication type:
- Article
3
Explicitly correlated Gaussian functions with r.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 893, doi. 10.1002/jcc.540150810
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- Publication type:
- Article
4
New implementation of a program to calculate correlated band structures of polymers: An application to the band structure of polyparaphenylene (PPP).
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 814, doi. 10.1002/jcc.540150803
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- Publication type:
- Article
5
Hash codes for the identification and classification of molecular structure elements.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 793, doi. 10.1002/jcc.540150802
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- Publication type:
- Article
6
Masthead.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. fmi, doi. 10.1002/jcc.540150801
- Publication type:
- Article
7
Announcement.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 917, doi. 10.1002/jcc.540150812
- Publication type:
- Article
8
Hybrid Monte Carlo: An efficient algorithm for condensed matter simulation.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 838, doi. 10.1002/jcc.540150805
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- Publication type:
- Article
9
Triazene proton affinities: A comparison between density functional, Hartree-Fock, and post-Hartree-Fock methods.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 875, doi. 10.1002/jcc.540150809
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- Publication type:
- Article
10
Normal mode analysis of oligomeric proteins: Reduction of the memory requirement by consideration of rigid geometry and molecular symmetry.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 820, doi. 10.1002/jcc.540150804
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- Publication type:
- Article
11
Cluster analysis of molecular conformations.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 899, doi. 10.1002/jcc.540150811
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- Publication type:
- Article
12
Molecular mechanics (MM3) parameterization of hydroxylamine and methyl derivatives.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 8, p. 866, doi. 10.1002/jcc.540150808
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- Publication type:
- Article