Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 13
Results: 11
Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interface.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1520, doi. 10.1002/(SICI)1096-987X(199610)17:13<1520::AID-JCC3>3.0.CO;2-U
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Normalization of the Fox-Goodwin algorithm to calculate scattering matrices in an adiabatic basis at low and high collision energies.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1559, doi. 10.1002/(SICI)1096-987X(199610)17:13<1559::AID-JCC7>3.0.CO;2-R
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Announcement.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. ii, doi. 10.1002/jcc.540171302
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Conformational and energetic properties of the ammonia dimer-comparison of post-Hartree-Fock and density functional methods.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1508, doi. 10.1002/(SICI)1096-987X(199610)17:13<1508::AID-JCC2>3.0.CO;2-W
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An efficient, differentiable hydration potential for peptides and proteins.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1549, doi. 10.1002/(SICI)1096-987X(199610)17:13<1549::AID-JCC6>3.0.CO;2-S
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Masthead.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. fmi, doi. 10.1002/jcc.540171301
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Generalized solution of interdiffusion problem: Optimal approach for multicomponent bounded systems.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1497, doi. 10.1002/(SICI)1096-987X(199610)17:13<1497::AID-JCC1>3.0.CO;2-N
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Application of a simple diagonal force field to the simulation of cyclopentane conformational dynamics.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1541, doi. 10.1002/(SICI)1096-987X(199610)17:13<1541::AID-JCC5>3.0.CO;2-S
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The role of databases in support of computational chemistry calculations.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1571, doi. 10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
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The isomers of ionized ethane.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1532, doi. 10.1002/(SICI)1096-987X(199610)17:13<1532::AID-JCC4>3.0.CO;2-T
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Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanics.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1564, doi. 10.1002/(SICI)1096-987X(199610)17:13<1564::AID-JCC8>3.0.CO;2-Q
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