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Theoretical Study of Stereodynamics for the $S+H_2 \ (υ=0$-$2, j=0)→ SH+H$ Reaction
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 3 : pp. 155–163
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The Weakening or Enhancing of $N$-$H\cdots O$ Intermolecular Hydrogen Bond in Different Solvents Revealed by Density Functional Calculations
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 3 : pp. 164–171
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The Potential Energy Curves and Spectral Constants of $Si_2N$
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 3 : pp. 172–178
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A Theoretical Study about Three Organic Semiconductor Based on Oligothiophenes
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 3 : pp. 179–189
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Elastic Low-Energy Electron Collisions with Methylamine
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 3 : pp. 190–196
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Ab Initio Calculation on the Low-Lying Excited States of BSe(+) Cation Including Spin-Orbit Coupling
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 3 : pp. 197–205
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Investigating Spectral Red Shift Mechanism of Fluorescent Chromophores Using Time-Dependent Density Functional Theory
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 3 : pp. 206–214
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ESIPT of 1-[N-(2-Pyridyl) Aminomethylidene]-2(1H)-Naphtalenone: A TDDFT Study
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 3 : pp. 215–224