A ring-bracing approach to computer-assisted ligand design.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 233, doi. 10.1002/jcc.540150213
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1994 AND VI 15 AND IP 2
Results: 15
1
2
Applicability of the WKB method in asymmetric double wells with degenerate and nondegenerate minima.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 125, doi. 10.1002/jcc.540150202
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- Publication type:
- Article
3
Rationalizing nuclear overhauser effect data for compounds adopting multiple-solution conformations.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 155, doi. 10.1002/jcc.540150206
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- Article
4
Masthead.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. fmi, doi. 10.1002/jcc.540150201
- Publication type:
- Article
5
Preconditioners for distance matrix algorithms.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 227, doi. 10.1002/jcc.540150212
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- Publication type:
- Article
6
Atomic charges derived from a fast and accurate method for electrostatic potentials based on modified AM1 calculations.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 200, doi. 10.1002/jcc.540150210
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- Publication type:
- Article
7
Conformation and reactivity of α-oxo-ketenes: Ab initio and semiempirical (AM1, PM3) calculations.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 132, doi. 10.1002/jcc.540150203
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- Publication type:
- Article
8
Computational study of the hydrolysis of degradable polysaccharide biomaterials: Substituent effects on the hydrolytic mechanism.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 241, doi. 10.1002/jcc.540150214
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- Publication type:
- Article
9
Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 162, doi. 10.1002/jcc.540150207
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- Publication type:
- Article
10
Free energy of solvation of a small Lennard-Jones particle.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 149, doi. 10.1002/jcc.540150205
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- Publication type:
- Article
11
Conformational sampling of hydrocarbon and lipid chains in an orienting potential.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 208, doi. 10.1002/jcc.540150211
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- Publication type:
- Article
12
Parallel algorithm for calculating ro-vibrational states of diatomic molecules.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 144, doi. 10.1002/jcc.540150204
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- Publication type:
- Article
13
Announcement.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 249, doi. 10.1002/jcc.540150215
- Publication type:
- Article
14
Semiempirical study of compounds with intramolecular OH...︁O hydrogen bonds. II. Further verification of a modified MNDO method.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 183, doi. 10.1002/jcc.540150208
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- Publication type:
- Article
15
Utilization of shape data in molecular mechanics using a potential based on spherical harmonic surfaces.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 190, doi. 10.1002/jcc.540150209
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- Publication type:
- Article