Analytical hessian fitting schemes for efficient determination of force-constant parameters in molecular mechanics.
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- Journal of Computational Chemistry, 2018, v. 39, n. 6, p. 307, doi. 10.1002/jcc.25100
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- Article
Works matching IS 01928651 AND DT 2018 AND VI 39 AND IP 6
Results: 7
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2
Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 6, p. 293, doi. 10.1002/jcc.25109
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- Publication type:
- Article
3
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 6, p. 287, doi. 10.1002/jcc.24944
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- Article
4
Cover Image, Volume 39, Issue 6.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 6, p. i, doi. 10.1002/jcc.25143
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- Article
5
Development of spin-orbit coupling for stochastic configuration interaction techniques.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 6, p. 319, doi. 10.1002/jcc.25110
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- Article
6
Erratum: 'iVI: An iterative vector interaction method for large eigenvalue problems' [J. Comput. Chem. 38, 2481 (2017)].
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 6, p. 338, doi. 10.1002/jcc.25111
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- Publication type:
- Article
7
CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 6, p. 328, doi. 10.1002/jcc.25113
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- Publication type:
- Article