Works matching IS 01928651 AND DT 1987 AND VI 8 AND IP 8
Results: 19
Systematic drug receptor mapping: A new approach to the analysis of conformational energy calculations of flexible molecules with application to dopaminergic and adrenergic agonists.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1075, doi. 10.1002/jcc.540080802
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- Article
MNDO Calculations on [n]metacyclophanes.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1154, doi. 10.1002/jcc.540080813
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- Article
Molecular mechanics study of myelin basic protein.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1104, doi. 10.1002/jcc.540080806
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- Article
An analysis of the structural and energetic properties of deoxyribose by potential energy methods.
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1199, doi. 10.1002/jcc.540080817
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- Article
Masthead.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. fmi, doi. 10.1002/jcc.540080801
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- Article
Benzene, aromatic rings, van der Waals molecules, and crystals of aromatic molecules in molecular mechanics (MM3).
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1146, doi. 10.1002/jcc.540080812
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- Article
On the use of constraints in molecular mechanics. II. The Lagrange multiplier method and non-full-matrix Newton-Raphson minimization.
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1099, doi. 10.1002/jcc.540080805
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- Article
The Hylleraas-CI method in molecular calculations: Two-electron integrals.
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1191, doi. 10.1002/jcc.540080816
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- Article
Nonbonded interactions. 1. Anisotropic hydrogen-hydrogen interactions.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1124, doi. 10.1002/jcc.540080809
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- Article
Benzene-benzene (phenyl-phenyl) interactions in MM2/MMP2 molecular mechanics calculations.
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1139, doi. 10.1002/jcc.540080811
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- Article
Cooperative effects in extended hydrogen bonded systems involving OH groups. Ab initio studies of the cyclic S<sub>4</sub> water tetramer.
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1090, doi. 10.1002/jcc.540080804
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- Article
Ab initio program for treatment of related molecules. II. Integral transformation in extended systems.
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1179, doi. 10.1002/jcc.540080815
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- Article
Semi-empirical calculations of molecular trajectories: Method and applications to some simple molecular systems.
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1117, doi. 10.1002/jcc.540080808
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- Article
Announcement.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1232, doi. 10.1002/jcc.540080819
- Publication type:
- Article
Calculation of enthalpies of hydrogenation of hydrocarbons.
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- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1131, doi. 10.1002/jcc.540080810
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- Article
Molecular orbital calculations on solvents and other small molecules: Correlation between electronic and molecular properties ν, α MOL, π*, and β.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1084, doi. 10.1002/jcc.540080803
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- Publication type:
- Article
An investigation of the relative stabilities of the isomers of CF<sub>2</sub>N<sub>2</sub>: Comparison of ab initio and MNDO calculations.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1170, doi. 10.1002/jcc.540080814
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- Publication type:
- Article
An evaluation of the performance of diffuse function-augmented basis sets for second row elements, Na-Cl.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1109, doi. 10.1002/jcc.540080807
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- Publication type:
- Article
A force field for allenes and for nonlinear acetylenes within the MM2 approximation.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 8, p. 1225, doi. 10.1002/jcc.540080818
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- Article