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Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 12

Results: 5

1

Further test of the isolated pentagon rule: Thermodynamic and kinetic stabilities of C<sub>84</sub> fullerene isomers.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 12, p. 1387, doi. 10.1002/(SICI)1096-987X(199609)17:12<1387::AID-JCC1>3.0.CO;2-G

By:

Aihara, Jun-Ichi;
Oe, Sumio;
Yoshida, Mitsuho;
Ōsawa, Eiji

Publication type:

Article

2

Accurate estimation of correlation energies using locally dense basis sets.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 12, p. 1431, doi. 10.1002/(SICI)1096-987X(199609)17:12<1431::AID-JCC4>3.0.CO;2-L

By:

Chesnut, D. B.;
Byrd, E. F. C.

Publication type:

Article

3

Masthead.

Published in:: Journal of Computational Chemistry, 1996, v. 17, n. 12, p. fmi, doi. 10.1002/jcc.540171201
Publication type:: Article

4

A new method for empirical force field calculations on localized and delocalized carbocations.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 12, p. 1406, doi. 10.1002/(SICI)1096-987X(199609)17:12<1406::AID-JCC3>3.0.CO;2-O

By:

Reindl, Bernd;
Clark, Timothy;
Schleyer, Paul v. R.

Publication type:

Article

5

Ab initio and molecular mechanics (MM2 and MM3) calculations of positively charged conjugated nitrogen-containing compounds.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 12, p. 1395, doi. 10.1002/(SICI)1096-987X(199609)17:12<1395::AID-JCC2>3.0.CO;2-F

By:

McGaughey, Georgia B.;
Stewart, Eugene L.;
Bowen, J. Phillip

Publication type:

Article