An Ab initio study on the conformations of protonated, neutral, and deprotonated amidine.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 62, doi. 10.1002/jcc.540030111
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1982 AND VI 3 AND IP 1
Results: 17
1
2
Theory of lone pairs. IV. Molecular ion hole states of ten-electron hydrides. Molecular ionization potentials and proton affinities by direct SCF calculations.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 14, doi. 10.1002/jcc.540030104
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- Publication type:
- Article
3
Graph theoretical classification and coding of chemical reactions with a linear mechanism.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 95, doi. 10.1002/jcc.540030115
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- Publication type:
- Article
4
Pitfalls in the use of the torsion angle driving method for the calculation of conformational interconversions.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 40, doi. 10.1002/jcc.540030108
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- Publication type:
- Article
5
Ab initio studies of structural features not easily amenable to experiment. 17. The molecular structures of some strained cyclic hydrocarbons and estimates of their strain energies.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 53, doi. 10.1002/jcc.540030110
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- Publication type:
- Article
6
A systematic preparation of new contracted Gaussian-type orbital sets. VIII. MINI-1 and MIDI-1 sets for Ga through Cd.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 6, doi. 10.1002/jcc.540030103
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- Publication type:
- Article
7
The conformation of malformin A.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 89, doi. 10.1002/jcc.540030114
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- Publication type:
- Article
8
The imposition of linear constraints upon eigenvalue problems.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 37, doi. 10.1002/jcc.540030107
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- Publication type:
- Article
9
An ab initio CI calculation of the triplet-triplet absorption spectrum of naphthalene.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 1, doi. 10.1002/jcc.540030102
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- Publication type:
- Article
10
Computer generation of nuclear spin species and nuclear spin statistical weights.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 75, doi. 10.1002/jcc.540030113
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- Publication type:
- Article
11
On computation of the topological resonance energy.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 28, doi. 10.1002/jcc.540030106
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- Publication type:
- Article
12
A quantum mechanical test of diophantine methods.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 117, doi. 10.1002/jcc.540030117
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- Article
13
Masthead.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. fmi, doi. 10.1002/jcc.540030101
- Publication type:
- Article
14
An algorithm for the generation of nuclear spin species and nuclear spin statistical weights.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 69, doi. 10.1002/jcc.540030112
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- Publication type:
- Article
15
On the OCS<sub>2</sub> Singlet potential energy surface.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 23, doi. 10.1002/jcc.540030105
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- Publication type:
- Article
16
Three-Electron bonds. II. SS and SCL three-electron bonds.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 112, doi. 10.1002/jcc.540030116
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- Publication type:
- Article
17
Studies in hydrogen bonding: Association within mixed dimers of water, methanol, ammonia, and methylamine using the empirical potential EPEN.
- Published in:
- Journal of Computational Chemistry, 1982, v. 3, n. 1, p. 47, doi. 10.1002/jcc.540030109
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- Publication type:
- Article