A concurrent algorithm for parallel calculation of eigenvalues and eigenvectors of real symmetric matrices.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 155, doi. 10.1002/jcc.540130206
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1992 AND VI 13 AND IP 2
Results: 16
1
2
Ab initio evidence for the stepwise mechanism of the McLafferty rearrangement of the butanal radical cation.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 183, doi. 10.1002/jcc.540130210
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- Publication type:
- Article
3
Probing the conformational space available to inhibitors in the thermolysin active site using Monte Carlo/energy minimization techniques.
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- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 214, doi. 10.1002/jcc.540130213
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- Publication type:
- Article
4
Computational chemistry using the P.C., by Donald W. Rogers, VCH Publishers, Inc., New York, 1990. pp. 224. Price: $55.00.
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- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 254, doi. 10.1002/jcc.540130217
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- Article
5
Correlation and solvation effects. IV. A systematic analysis of the influence of cavity size and shape on solvation properties in the polarizable continuum model with electron correlation.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 115, doi. 10.1002/jcc.540130202
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- Publication type:
- Article
6
Algorithms for chemists, by Jure Zupan, Wiley, New York, 1989, pp. 290. Price: $120.00.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 254, doi. 10.1002/jcc.540130216
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- Article
7
Masthead.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. fmi, doi. 10.1002/jcc.540130201
- Publication type:
- Article
8
Microscopic models for quantum mechanical calculations of chemical processes in solutions: LD/AMPAC and SCAAS/AMPAC calculations of solvation energies.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 199, doi. 10.1002/jcc.540130212
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- Publication type:
- Article
9
Reliability of atomic natural orbital basis sets in calculations involving pseudopotentials.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 148, doi. 10.1002/jcc.540130205
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- Publication type:
- Article
10
Geometry optimization in Cartesian coordinates: Constrained optimization.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 240, doi. 10.1002/jcc.540130215
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- Publication type:
- Article
11
Calculated structures and relative stabilities of furoxan, some 1,2-dinitrosoethylenes and other isomers.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 177, doi. 10.1002/jcc.540130209
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- Publication type:
- Article
12
New realization of loop driven direct CI.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 187, doi. 10.1002/jcc.540130211
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- Article
13
A systematic ab initio study of the group V trihalides MX<sub>3</sub> and pentahalides MX<sub>5</sub> ( M = PBi, X = FI).
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 165, doi. 10.1002/jcc.540130208
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- Publication type:
- Article
14
On the numerical solution of the multidimensional vibrational time-independent Schroedinger equation.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 135, doi. 10.1002/jcc.540130203
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- Publication type:
- Article
15
The optimized ellisoidal cavity and its application to the self-consistent reaction field calculation of hydration energies of cations and neutral molecules.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 229, doi. 10.1002/jcc.540130214
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- Publication type:
- Article
16
A coarse-grain parallel implementation of the direct SCF method.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 2, p. 160, doi. 10.1002/jcc.540130207
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- Publication type:
- Article