Meshed tert-butyl gears on a quasirigid backbone.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1786, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1786::AID-JCC10>3.0.CO;2-B
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- Article
Works matching IS 01928651 AND DT 1998 AND VI 19 AND IP 15
Results: 10
1
2
Hybrid Monte Carlo with adaptive temperature in mixed-canonical ensemble: Efficient conformational analysis of RNA.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1689, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1689::AID-JCC2>3.0.CO;2-J
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- Article
3
MC(JBW): Simple but smart Monte Carlo algorithm for free energy simulations of multiconformational molecules.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1736, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1736::AID-JCC6>3.0.CO;2-O
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- Article
4
Influence of environment on proton-transfer mechanisms in model triads from theoretical calculations.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1675, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1675::AID-JCC1>3.0.CO;2-K
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- Article
5
Calculation of solvation free energy using RISM theory for peptide in salt solution.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1724, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1724::AID-JCC5>3.0.CO;2-P
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- Article
6
DefPol: New procedure to build molecular surfaces and its use in continuum solvation methods.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1758, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1758::AID-JCC8>3.0.CO;2-M
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- Article
7
Static and frequency dependent polarizabilities and hyperpolarizabilities of H<sub>2</sub>S<sub> n</sub>.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1698, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1698::AID-JCC3>3.0.CO;2-I
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- Article
8
Performance of parallel TURBOMOLE for density functional calculations.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1746, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1746::AID-JCC7>3.0.CO;2-N
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- Article
9
Calculation of clustered eigenvalues of large matrices using variance minimization method.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1777, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1777::AID-JCC9>3.0.CO;2-K
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- Publication type:
- Article
10
Parallel algorithm for efficient calculation of second derivatives of conformational energy function in internal coordinates.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 15, p. 1716, doi. 10.1002/(SICI)1096-987X(19981130)19:15<1716::AID-JCC4>3.0.CO;2-Q
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- Publication type:
- Article