Beyond the MNDO model: Methodical considerations and numerical results.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 775, doi. 10.1002/jcc.540140704
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1993 AND VI 14 AND IP 7
Results: 12
1
2
Implementation of the direct SCF and RPA methods on loosely coupled networks of workstations.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 818, doi. 10.1002/jcc.540140708
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- Publication type:
- Article
3
Molecular dynamics simulation of cellobiose in water.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 848, doi. 10.1002/jcc.540140710
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- Publication type:
- Article
4
Linear combination of Lanczos vectors: A storage-efficient algorithm for sparse matrix eigenvector computations.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 769, doi. 10.1002/jcc.540140703
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- Publication type:
- Article
5
Hydrolytic degradation of α-substituted polyglycolic acids: A semiempirical computational study.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 809, doi. 10.1002/jcc.540140707
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- Publication type:
- Article
6
A molecular mechanics study of alkyl peroxides.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 755, doi. 10.1002/jcc.540140702
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- Publication type:
- Article
7
Suitability of the PM3-derived molecular electrostatic potentials.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 799, doi. 10.1002/jcc.540140706
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- Publication type:
- Article
8
Masthead.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. fmi, doi. 10.1002/jcc.540140701
- Publication type:
- Article
9
Efficient calculations of coulombic interactions in biomolecular simulations with periodic boundary conditions.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 867, doi. 10.1002/jcc.540140712
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- Publication type:
- Article
10
A critical comparison of search algorithms applied to the optimization of protein side-chain conformations.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 790, doi. 10.1002/jcc.540140705
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- Publication type:
- Article
11
Conformational analysis and molecular dynamics simulation of cellobiose and larger cellooligomers.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 831, doi. 10.1002/jcc.540140709
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- Publication type:
- Article
12
Conformational dependence of electrostatic potential-derived charges: Studies of the fitting procedure.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 7, p. 858, doi. 10.1002/jcc.540140711
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- Publication type:
- Article