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Charge transfer ionic character illustration for strontium hydride ion through a diabatic investigation.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25680
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- Article
Diabatic investigation for the NaRb molecule.
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- International Journal of Quantum Chemistry, 2017, v. 117, n. 22, p. n/a, doi. 10.1002/qua.25437
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- Article
Ab initio calculation of the electronic structure of the strontium hydride ion (SrH<sup>+</sup>).
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- International Journal of Quantum Chemistry, 2015, v. 115, n. 3, p. 172, doi. 10.1002/qua.24813
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- Article
Ab initio spectroscopic study for the NaRb molecule in ground and excited states.
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- International Journal of Quantum Chemistry, 2014, v. 114, n. 11, p. 731, doi. 10.1002/qua.24664
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Theoretical study of the electronic structure of LiX and NaX (X = Rb, Cs) molecules.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 15, p. 2724, doi. 10.1002/qua.23295
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Theoretical study of the polarized infrared spectra of the hydrogen bond in 2-furoic acid crystal dimer.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 5, p. 1373, doi. 10.1002/qua.23117
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Theoretical study of hydrogen and deuterium bond in glutaric acid crystal dimer.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 4, p. 1006, doi. 10.1002/qua.23085
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Theoretical infrared line shapes of H-bonds within the strong anharmonic coupling theory and Fermi resonances effects.
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- International Journal of Quantum Chemistry, 2010, v. 110, n. 14, p. 2583, doi. 10.1002/qua.22395
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- Article
Anharmonic effects on theoretical IR line shapes of medium strong H(D) bonds.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 3, p. 483, doi. 10.1002/qua.21839
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- Article
A theoretical model for polarized infrared spectra of crystals of 2-naphthyl acetic acid in the OH-stretching region.
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- Journal of Applied Spectroscopy, 2013, v. 80, n. 1, p. 15, doi. 10.1007/s10812-013-9714-7
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Questioning the structure of Sr<sup>+</sup>Ar<sub>n</sub> clusters.
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- European Physical Journal D (EPJ D), 2018, v. 72, n. 8, p. 1, doi. 10.1140/epjd/e2018-90160-5
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Ab Initio Diabatic energies and dipole moments of the electronic states of RbLi molecule.
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- Journal of Computational Chemistry, 2013, v. 34, n. 24, p. 2091, doi. 10.1002/jcc.23363
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- Article
Theoretical investigation of the electronic properties of alkali atoms interacting with helium rare gas using a pseudopotential approach.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 6, p. 1, doi. 10.1007/s00214-018-2266-4
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- Article
Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3-thiophenic acid crystal.
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- Journal of Computational Chemistry, 2010, v. 31, n. 3, p. 463, doi. 10.1002/jcc.21324
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- Article
Polarized Infrared Spectra of the H(D) Bond in 2-Thiophenic Acid Crystals: A Spectroscopic and Computational Study.
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- ChemPhysChem, 2009, v. 10, n. 17, p. 3021, doi. 10.1002/cphc.200900376
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Structures and relative stabilities of Na<sup>+</sup>Ne<sub>n</sub> (n = 1–16) clusters via pairwise and DFT calculations.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 7, p. N.PAG, doi. 10.1007/s00214-019-2476-4
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- Article