Multiple solutions of unrestricted Hartree-Fock equations: The SNH<sup>+</sup> radical as an example.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 295, doi. 10.1002/jcc.540100303
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1989 AND VI 10 AND IP 3
Results: 19
1
2
Topological electron density analysis of phosphines, phosphaalkenes and phosphaalkynes.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 392, doi. 10.1002/jcc.540100314
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- Publication type:
- Article
3
A submatrix algorithm for the matrix-vector multiplication of very large matrices.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 344, doi. 10.1002/jcc.540100307
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- Publication type:
- Article
4
The tautomerism of 1,2,3-triazole, 3(5)-methylpyrazole and their cations.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 426, doi. 10.1002/jcc.540100318
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- Publication type:
- Article
5
Spatial geometric arrangements of disulfide-crosslinked loops in nonplanar proteins.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 287, doi. 10.1002/jcc.540100302
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- Publication type:
- Article
6
Solving the finite difference linearized Poisson-Boltzmann equation: A comparison of relaxation and conjugate gradient methods.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 386, doi. 10.1002/jcc.540100313
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- Publication type:
- Article
7
Basis set dependence, precision, and accuracy of full ab initio gradient optimizations of molecular structures of nonstrained hydrocarbons. I. CC bond lengths.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 329, doi. 10.1002/jcc.540100306
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- Publication type:
- Article
8
Computer generation of the character tables of the symmetric groups (S<sub>n</sub>).
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 417, doi. 10.1002/jcc.540100317
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- Publication type:
- Article
9
Masthead.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. fmi, doi. 10.1002/jcc.540100301
- Publication type:
- Article
10
Prolog program for subgraph enumeration and calculation of molecular connectivity indexes.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 380, doi. 10.1002/jcc.540100312
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- Publication type:
- Article
11
MC-SCF and CI calculations on the Si<sub>4</sub>H<sub>4</sub> system.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 309, doi. 10.1002/jcc.540100305
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- Publication type:
- Article
12
The rate of convergence of the S matrix for the renormalized Numerov and log-derivative methods.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 413, doi. 10.1002/jcc.540100316
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- Publication type:
- Article
13
On the computation of matrix elements between numerical wave functions: The canonical functions method.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 358, doi. 10.1002/jcc.540100309
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- Publication type:
- Article
14
Algorithm for rapid calculation of excluded volume of large molecules.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 376, doi. 10.1002/jcc.540100311
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- Publication type:
- Article
15
The gradient-optimized geometry of haloperidol at the 4-21G level.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 302, doi. 10.1002/jcc.540100304
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- Publication type:
- Article
16
Conformational analysis. 48. A molecular mechanics (MMP2) approach to the conformational analysis of methyl-, dimethyl- and trimethylisochromanes.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 407, doi. 10.1002/jcc.540100315
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- Publication type:
- Article
17
Ab initio study of the proton affinity of a number of ortho-substituted pyridines.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 346, doi. 10.1002/jcc.540100308
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- Publication type:
- Article
18
Announcement.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 434, doi. 10.1002/jcc.540100319
- Publication type:
- Article
19
The effect of electron correlation on the topological and atomic properties of the electron density distributions of molecules.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 3, p. 367, doi. 10.1002/jcc.540100310
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- Publication type:
- Article