Ab initio calculations on the effect of polarization functions on disiloxane.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 84, doi. 10.1002/jcc.540080111
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1987 AND VI 8 AND IP 1
Results: 11
1
2
Molecular modeling of polymers: I. Correct and efficient enumeration of intrachain conformational energetics.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 28, doi. 10.1002/jcc.540080104
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- Publication type:
- Article
3
Hydration structures and energetics of phospholipid.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 57, doi. 10.1002/jcc.540080108
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- Publication type:
- Article
4
Polarization counterpoise corrections to correlated hydrogen bond interaction energies.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 81, doi. 10.1002/jcc.540080110
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- Publication type:
- Article
5
The role of d functions in ab initio calculations. II. The deformation densities of SO<sub>2</sub>, NO<sub>2</sub>, and their ions.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 6, doi. 10.1002/jcc.540080103
- By:
- Publication type:
- Article
6
Ab initio studies on van der Waals molecules. A comparative study with several basis sets of the C2 v HeLi2 system.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 51, doi. 10.1002/jcc.540080107
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- Publication type:
- Article
7
Recursion formulae for calculation of overlap integrals.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 1, doi. 10.1002/jcc.540080102
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- Publication type:
- Article
8
On the importance of size-consistency corrections in semiempirical MNDOC calculations.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 48, doi. 10.1002/jcc.540080106
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- Publication type:
- Article
9
Masthead.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. fmi, doi. 10.1002/jcc.540080101
- Publication type:
- Article
10
Recent advances in multireference second order perturbation CI: The CIPSI method revisited.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 39, doi. 10.1002/jcc.540080105
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- Publication type:
- Article
11
Theoretical study of water-pyridine complexes using intermolecular potentials.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 67, doi. 10.1002/jcc.540080109
- By:
- Publication type:
- Article