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Theoretical investigations on the vibronic coupling effect and NBO Studies of Stability on the GeX2 (X=F, Cl, and Br) molecules.
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- International Journal of New Chemistry, 2024, v. 11, n. 1, p. 34, doi. 10.22034/ijnc.2023.2007984.1352
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- Article
The Pseudo Jahn–Teller effect and NBO analysis for untangling the symmetry breaking in the planar configurations of M<sub>2</sub>X<sub>4</sub><sup>+</sup> (M = Si, Ge and X = Cl, Br, I): effect on electronic structure and chemical properties
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- Journal of Molecular Modeling, 2024, v. 30, n. 1, p. 1, doi. 10.1007/s00894-023-05792-1
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- Article
Study of the Formation, Energetics, Specific Interaction, Charge Transfer and Nature of Hydrogen Bonds in Dimerization of the 2PY (C5H4X N (O) Derivatives (X= F, Cl, and Br): DFT, AIM and NBO analyses.
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- International Journal of New Chemistry, 2021, v. 8, n. 3, p. 277, doi. 10.22034/ijnc.2021.122797.1101
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- Article
Theoretical Study of M<sub>2</sub>X<sub>4</sub> (M=C, X=H, F and Cl) Structures by using HOMO, LUMO, NBO and NMR analysis.
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- International Journal of New Chemistry, 2021, v. 8, n. 2, p. 198, doi. 10.22034/ijnc.2020.122648.1100
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- Article
A Computational Study to Find the Vibrational Modes Connected with Specific Molecular Structures of Calculated Compound.
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- International Journal of New Chemistry, 2019, v. 6, n. 4, p. 277
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- Article