Works matching IS 01928651 AND DT 1997 AND VI 18 AND IP 15
Results: 9
Symbolic algebra in mathematical analysis of chemical-kinetic systems.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1903, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1903::AID-JCC6>3.0.CO;2-S
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Molecular mechanics studies (MM4) of sulfides and mercaptans.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1827, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1827::AID-JCC1>3.0.CO;2-Q
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Representing protein and peptide structures with parallel-coordinates.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1893, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1893::AID-JCC5>3.0.CO;2-J
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Design of low band gap polymers employing density functional theory-hybrid functionals ameliorate band gap problem.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1943, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1943::AID-JCC9>3.0.CO;2-O
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Discrete pattern recognition by fitting onto a continuous function.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1875, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1875::AID-JCC4>3.0.CO;2-L
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Unification of box shapes in molecular simulations.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1930, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1930::AID-JCC8>3.0.CO;2-P
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Basis set modeling for molecular calculations using effective core potential.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1918, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1918::AID-JCC7>3.0.CO;2-R
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ORAC: A Molecular dynamics program to simulate complex molecular systems with realistic electrostatic interactions.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1848, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1848::AID-JCC2>3.0.CO;2-O
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Extension of the PS-GVB electronic structure code to transition metal complexes.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1863, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1863::AID-JCC3>3.0.CO;2-M
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