Long range nonbonded attractive constants for some charged atoms.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1125, doi. 10.1002/jcc.540120910
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1991 AND VI 12 AND IP 9
Results: 16
1
2
Prescreening of two-electron integral derivatives in SCF gradient and Hessian calculations.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1058, doi. 10.1002/jcc.540120903
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- Publication type:
- Article
3
An SCF study of 10-vertex and 12-vertex boranes and heteroboranes.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1147, doi. 10.1002/jcc.540120914
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- Publication type:
- Article
4
Stabilities of small Be<sub> n</sub> and B<sub> n</sub> clusters (4 ≤ n ≤ 8) by vibrational analysis.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1097, doi. 10.1002/jcc.540120907
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- Publication type:
- Article
5
The C<sub>α</sub>C internal rotation in α-alkyl substituted carbonyls and thiocarbonyls: CH(CH<sub>3</sub>)<sub>2</sub>C( X) YH ( X, Y O or S).
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1047, doi. 10.1002/jcc.540120902
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- Publication type:
- Article
6
An ab initio study of the proton affinities of some heteroatomic rings: Imidazole, oxazole, and thiazole.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1142, doi. 10.1002/jcc.540120913
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- Publication type:
- Article
7
A general procedure for obtaining wave functions obeying the virial theorem.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1089, doi. 10.1002/jcc.540120906
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- Publication type:
- Article
8
Masthead.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. fmi, doi. 10.1002/jcc.540120901
- Publication type:
- Article
9
Theoretical kinetic isotope effects for the hydride transfer from formate to carbon dioxide: A comparison of theory with experiment.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1134, doi. 10.1002/jcc.540120912
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- Publication type:
- Article
10
GEPOL: An improved description of molecular surfaces II. Computing the molecular area and volume.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1077, doi. 10.1002/jcc.540120905
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- Publication type:
- Article
11
Announcements.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1163, doi. 10.1002/jcc.540120916
- Publication type:
- Article
12
The number of spanning trees in buckminsterfullerene.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1118, doi. 10.1002/jcc.540120909
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- Publication type:
- Article
13
Molecular geometries and heats of formation of C<sub>60</sub> and C<sub>70</sub> as computed by MM2-87.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1129, doi. 10.1002/jcc.540120911
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- Publication type:
- Article
14
Efficient search for all low energy conformations of polypeptides by Monte Carlo methods.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1065, doi. 10.1002/jcc.540120904
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- Publication type:
- Article
15
Semiempirical vibrational and electronic structures of C<sub>60</sub> and C<sub>70</sub>.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1157, doi. 10.1002/jcc.540120915
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- Publication type:
- Article
16
An unbounded systematic search of conformational space.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 9, p. 1110, doi. 10.1002/jcc.540120908
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- Publication type:
- Article