Molecular surface generation using marching tetrahedra.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1268, doi. 10.1002/(SICI)1096-987X(199808)19:11<1268::AID-JCC6>3.0.CO;2-I
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Works matching IS 01928651 AND DT 1998 AND VI 19 AND IP 11
Results: 11
1
2
Inexpensive vibrational anharmonicities from estimated derivatives: Diatomic molecules.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1315, doi. 10.1002/(SICI)1096-987X(199808)19:11<1315::AID-JCC11>3.0.CO;2-K
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- Article
3
DFT-predicted structural, vibrational, and bonding properties of XSiO and X<sub>2</sub>SiO (X=F, Cl, or Br) molecules.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1205, doi. 10.1002/(SICI)1096-987X(199808)19:11<1205::AID-JCC1>3.0.CO;2-O
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- Article
4
Principal coordinate maps of molecular potential energy surfaces.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1255, doi. 10.1002/(SICI)1096-987X(199808)19:11<1255::AID-JCC5>3.0.CO;2-J
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5
Sampling potential energy surface of glycyl glycine peptide: Comparison of Metropolis Monte Carlo and stochastic dynamics.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1294, doi. 10.1002/(SICI)1096-987X(199808)19:11<1294::AID-JCC9>3.0.CO;2-F
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6
Parallel internally contracted multireference configuration interaction.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1215, doi. 10.1002/(SICI)1096-987X(199808)19:11<1215::AID-JCC2>3.0.CO;2-N
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7
Integral transformation with low-order scaling for large local second-order Møller-Plesset calculations.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1241, doi. 10.1002/(SICI)1096-987X(199808)19:11<1241::AID-JCC4>3.0.CO;2-K
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- Article
8
Reference program for molecular calculations with Slater-type orbitals.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1284, doi. 10.1002/(SICI)1096-987X(199808)19:11<1284::AID-JCC8>3.0.CO;2-G
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9
Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1300, doi. 10.1002/(SICI)1096-987X(199808)19:11<1300::AID-JCC10>3.0.CO;2-P
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10
Free energy calculations in globular proteins: Methods to reduce errors.
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- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1229, doi. 10.1002/(SICI)1096-987X(199808)19:11<1229::AID-JCC3>3.0.CO;2-M
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11
Improved convergence in dual-topology free energy calculations through use of harmonic restraints.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 11, p. 1278, doi. 10.1002/(SICI)1096-987X(199808)19:11<1278::AID-JCC7>3.0.CO;2-H
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- Article