Found: 11
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XPS of oxygen atoms on Ag(111) and Ag(110) surfaces: Accurate study with SAC/SAC-CI combined with dipped adcluster model.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. 1828, doi. 10.1002/jcc.23324
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- Article
Improved partition-expansion of two-center distributions involving slater functions.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. 1800, doi. 10.1002/jcc.23306
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- Article
Differential geometric analysis of alterations in MH α-helices.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. 1862, doi. 10.1002/jcc.23328
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- Article
Inside Cover, Volume 34, Issue 21.
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- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. iii, doi. 10.1002/jcc.23379
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- Article
The Becke Fuzzy Cells Integration Scheme in the Amsterdam Density Functional Program Suite.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. 1819, doi. 10.1002/jcc.23323
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- Article
Internal-to-cartesian back transformation of molecular geometry steps using high-order geometric derivatives.
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- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. 1842, doi. 10.1002/jcc.23327
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- Article
Cover Image, Volume 34, Issue 21.
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- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. i, doi. 10.1002/jcc.23378
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- Article
Accuracy and tractability of a kriging model of intramolecular polarizable multipolar electrostatics and its application to histidine.
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- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. 1850, doi. 10.1002/jcc.23333
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- Article
Low cost prediction of relative stabilities of hydrogen bonded complexes from atomic multipole moments for overly short intermolecular distances.
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- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. 1797, doi. 10.1002/jcc.23326
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- Article
Heuristic control of kinetic energy in dynamic reaction coordinate calculations.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. 1835, doi. 10.1002/jcc.23332
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- Article
PathOpt-A global transition state search approach: Outline of algorithm.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 21, p. 1810, doi. 10.1002/jcc.23307
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- Article