MINDO/3 Study of the Rearrangement of 1-Methylcyclohexyl Cation to 1,2-Dimethylcyclopentyl Cation.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 417, doi. 10.1002/jcc.540070405
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1986 AND VI 7 AND IP 4
Results: 20
1
2
A Comparison of the Rotational Potential Functions in Butane, Propylsilane, Ethylmethylsilane, and 1,2-Disilylethane: Ab Initio and MM2 Results.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 528, doi. 10.1002/jcc.540070416
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- Publication type:
- Article
3
An SCF and CI Study of the 1,3 Shift in the HXCHY⇌XCHYH Isoelectronic Series: X, YCH<sub>2</sub>, NH, and O.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 464, doi. 10.1002/jcc.540070409
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- Publication type:
- Article
4
Conformational Dynamics of 9,9-Dimethyl-1,5-Dihetero-Spiro [5.5] Undecanes by Molecular Mechanics Calculations: A Three-Dimensional Topological Approach.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 482, doi. 10.1002/jcc.540070411
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- Publication type:
- Article
5
Theoretical Investigations on Fluorine-Substituted Ethylene Dications C<sub>2</sub>H<sub> n</sub>F<sub>4- n</sub><sup>2+</sup>( n = 0-4).
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 406, doi. 10.1002/jcc.540070404
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- Publication type:
- Article
6
Atomic Charges in the Quadrupole Solvation Energy Calculations.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 523, doi. 10.1002/jcc.540070415
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- Publication type:
- Article
7
Transport Properties of Macromolecules by Brownian Dynamics Simulation: Vectorization of Brownian Dynamics on the Cyber-205.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 457, doi. 10.1002/jcc.540070408
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- Publication type:
- Article
8
Atomic Physicochemical Parameters for Three-Dimensional Structure-Directed Quantitative Structure-Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 565, doi. 10.1002/jcc.540070419
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- Publication type:
- Article
9
On the Use of Constraints in Molecular Mechanics. Rigid Group Refinement.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 476, doi. 10.1002/jcc.540070410
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- Publication type:
- Article
10
Energy-optimized GTO basis sets for LCAO Calculations. A Gradient Approach.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 396, doi. 10.1002/jcc.540070403
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- Publication type:
- Article
11
Conformational Properties of 3-Phenylpiperidine and 3-Phenylpyrrolidine Opioid Analgesics.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 513, doi. 10.1002/jcc.540070414
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- Publication type:
- Article
12
Transfer-Matrix Method for Subgraph Enumeration: Applications to Polypyrene Fusenes.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 443, doi. 10.1002/jcc.540070407
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- Publication type:
- Article
13
On the Enumeration of 2-Factors of Polyhexes.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 547, doi. 10.1002/jcc.540070418
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- Publication type:
- Article
14
A New Method for Molecular Mechanics.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 578, doi. 10.1002/jcc.540070420
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- Publication type:
- Article
15
An algorithm for the location of transition states.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 385, doi. 10.1002/jcc.540070402
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- Publication type:
- Article
16
Optimization of the Generalized Valence Bond Method for Vector Processors.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 500, doi. 10.1002/jcc.540070413
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- Publication type:
- Article
17
Substituent Effects on the Low-Lying Singlet and Triplet States of Methylene.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 428, doi. 10.1002/jcc.540070406
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- Publication type:
- Article
18
A Strategy for the Regional Characterization of Potential Energy Surfaces.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 539, doi. 10.1002/jcc.540070417
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- Publication type:
- Article
19
Masthead.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. fmi, doi. 10.1002/jcc.540070401
- Publication type:
- Article
20
An Efficient Method for using Molecular Symmetry. In Advance Selection of Zero Integrals.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 4, p. 494, doi. 10.1002/jcc.540070412
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- Publication type:
- Article