Articles

• Density Functional Theory Study of Electronic Structures in Lithium Silicates: $Li_2SiO_3$ and $Li_4SiO_4$

  Tao Tang & De-Li Luo

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  27783 3220 Pages:185-200

• Theoretical Raman and IR Spectra of Tegafur and Comparison of Molecular Electrostatic Potential Surfaces, Polarizability and Hyperpolarizability of Tegafur with 5-Fluoro-Uracil by Density Functional Theory

  Onkar Prasad, Leena Sinha & Naveen Kumar

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  27116 2721 Pages:201-214

• Theoretical Studies of Femtosecond Photoionization for the $Na_2$ Molecule

  Di Yang, Shu-Lin Cong, Ke-Li Han

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  26373 2680 Pages:215-223

• Modified Atomic Orbital Calculations for $(1s,nl)^3L^{\pi}$ and $_2 (1,0)_n^{±1,3}S^e$ Excited States of He Isoelectronic Sequence

  I. Sakho

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  26302 2631 Pages:224-242

• First-Principles Calculations of Thermodynamic Properties of Superhard Orthorhombic $\beta-BC_2N$

  J. Chang, Y. Cheng & M. Fu

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  25280 2668 Pages:243-252

• An EAM Potential for the Dynamical Simulation of Ni-Al Alloys

  Jian-Hua Zhang, Shun-Qing Wu, Yu-Hua Wen & Zi-Zhong Zhu

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  26094 2544 Pages:253-261

• Correlation Between Classical Fisher Information and Quantum Squeezing Properties of Gaussian Pure States

  Jia-Qiang Zhao

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  25442 2607 Pages:262-267

• Entanglement Dynamics of Two Trapped Ions in the Intermediate Excitation Regime

  Zhong-Jie Wang & Chao-Yang Fan

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  24982 2618 Pages:268-274