Works matching IS 01928651 AND DT 1998 AND VI 19 AND IP 16
Results: 10
Self-consistent field calculations using two-body density functionals for correlation energy component: II. Small molecules.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1899, doi. 10.1002/(SICI)1096-987X(199812)19:16<1899::AID-JCC10>3.0.CO;2-A
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Theoretical study of intermolecular potential energy surface for HCl dimer: Example of nonspherical atom-atom exchange repulsion interaction.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1816, doi. 10.1002/(SICI)1096-987X(199812)19:16<1816::AID-JCC3>3.0.CO;2-O
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Conformers of gaseous protonated glycine.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1862, doi. 10.1002/(SICI)1096-987X(199812)19:16<1862::AID-JCC7>3.0.CO;2-J
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New approach for representation of molecular surface.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1805, doi. 10.1002/(SICI)1096-987X(199812)19:16<1805::AID-JCC2>3.0.CO;2-P
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Pyrrolizidine alkaloids necine bases: II. Conformational analysis of free bases.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1853, doi. 10.1002/(SICI)1096-987X(199812)19:16<1853::AID-JCC6>3.0.CO;2-K
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Theoretical study of 1,3-dipolar cycloadditions of nitrone and fulminic acid with substituted ethylenes.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1795, doi. 10.1002/(SICI)1096-987X(199812)19:16<1795::AID-JCC1>3.0.CO;2-G
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ELECT++: Faster conformational search method for docking flexible molecules using molecular similarity.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1834, doi. 10.1002/(SICI)1096-987X(199812)19:16<1834::AID-JCC5>3.0.CO;2-M
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Self-consistent field calculations using two-body density functionals for correlation energy component: I. Atomic systems.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1887, doi. 10.1002/(SICI)1096-987X(199812)19:16<1887::AID-JCC9>3.0.CO;2-H
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Theoretical study of ester enolate-imine condensation route to β-lactams.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1826, doi. 10.1002/(SICI)1096-987X(199812)19:16<1826::AID-JCC4>3.0.CO;2-N
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Use of symmetric rank-one Hessian update in molecular geometry optimization.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1877, doi. 10.1002/(SICI)1096-987X(199812)19:16<1877::AID-JCC8>3.0.CO;2-I
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