Found: 12
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Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H<sub>2</sub> rich environment.
- Published in:
- Journal of Molecular Modeling, 2022, v. 28, n. 8, p. 1, doi. 10.1007/s00894-022-05207-7
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- Article
Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization.
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- Journal of Molecular Modeling, 2015, v. 21, n. 10, p. 1, doi. 10.1007/s00894-015-2813-z
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- Article
Relativistic effects on inversion barriers of pyramidal group 15 hydrides.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 14, p. 1, doi. 10.1002/qua.25585
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- Article
Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 19, p. 3198, doi. 10.1002/qua.24135
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- Article
Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models.
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- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1970, doi. 10.1002/jcc.20500
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- Article
Accurate relativistic adapted Gaussian basis sets for hydrogen through xenon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models.
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- Journal of Computational Chemistry, 2006, v. 27, n. 1, p. 61, doi. 10.1002/jcc.20321
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- Article
An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models.
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- Journal of Computational Chemistry, 2005, v. 26, n. 9, p. 932, doi. 10.1002/jcc.20223
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- Article
A polynomial version of the generator coordinate Dirac-Fock method.
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- Journal of Computational Chemistry, 2004, v. 25, n. 15, p. 1904, doi. 10.1002/jcc.20115
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- Article
Determination of molecular properties for moscovium halides (McF and McCl).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2573-4
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- Article
An atomic charge study of highly ionic diatomic molecular systems.
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- International Journal of Quantum Chemistry, 2010, v. 110, n. 9, p. 1729, doi. 10.1002/qua.22296
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- Article
Electrostatic properties of small molecules by means of atomic multipoles from the quantum theory of atoms in molecules.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 13, p. 2417, doi. 10.1002/qua.21766
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- Article
Adapted relativistic prolapse-free Gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model.
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- International Journal of Quantum Chemistry, 2006, v. 106, n. 13, p. 2790, doi. 10.1002/qua.21076
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- Article