Books    Papers    Softwares

  1. Shubin Liu, Chunying Rong, Tian Lu, Electronic forces as descriptors of nucleophilic and electrophilic regioselectivity and stereoselectivity, Phys. Chem. Chem. Phys., 19, 1496-1503 (2017)

  2. Guangyao Zhou, A Quantum Chemistry Study of Hydrogen Bonds (2), J. Adv. Phys. Chem., 5, 58-74 (2016)

  3. XiaYu Zhou, Chunying Rong, Tian Lu, Panpan Zhou, Shubin Liu, Information Functional Theory: Electronic Properties as Functionals of Information for Atoms and Molecules, J. Phys. Chem. A, 120, 3634–3642 (2016)

  4. Jingsi Cao, Qing Ren, Feiwu Chen, Tian Lu, Comparative study on the methods for predicting the reactive site of nucleophilic reaction, Sci. China Chem., 58, 1845-1852 (2015)

  5. Meng Xiao, Tian Lu*, Generalized Charge Decomposition Analysis (GCDA) Method, J. Adv. Phys. Chem., 4, 111-124 (2015)

  6. Shubin Liu*, Chunying Rong*, Zemin Wu, Tian Lu, Rényi Entropy, Tsallis Entropy and Onicescu Information Energy in Density Functional Reactivity Theory, Acta Phys. Chim. Sin., 31, 2057-2063 (2015)

  7. Zemin Wu, Chunying Rong*, Tian Lu, Paul W. Ayers, Shubin Liu*, Density Functional Reactivity Theory Study of SN2 Reactions from the Information-Theoretic Perspective, Phys. Chem. Chem. Phys., 17, 27052-27061 (2015)

  8. Sergio Manzetti, Tian Lu, Hadi Behzadi*, et al., Intriguing properties of unusual silicon nanocrystals, RSC Adv., 5, 78192-78208 (2015)  Correction: RSC Adv., 5, 82631 (2015)

  9. Wenjie Wu, Zemin Wu, Chunying Rong*, Tian Lu, Ying Huang, Shubin Liu*, Computational Study of Chemical Reactivity Using Information-Theoretic Quantities from Density Functional Reactivity Theory for Electrophilic Aromatic Substitution Reactions, J. Phys. Chem. A, 119, 8216-8224 (2015)

  10. Saeedreza Emamian*, Tian Lu, Farid Moeinpour, Can the high reactivity of azomethine betaines in [3 + 2] cycloaddition reactions be explained using singlet-diradical character descriptors? What molecular mechanism is actually involved in these cycloadditions? RSC Adv., 5, 62248-62259 (2015)

  11. Chunying Rong, Tian Lu, Paul Ayers*, Pratim Chattaraj and Shubin Liu*, Scaling Properties of Information-Theoretic Quantities in Density Functional Reactivity Theory, Phys. Chem. Chem. Phys., 17, 4977 (2015)  Correction: Phys. Chem. Chem. Phys., 17, 11110-11111 (2015)

  12. Guangyao Zhou, A Quantum Chemistry Study of Hydrogen Bonds (1), J. Adv. Phys. Chem., 4, 84-101 (2015)

  13. ZHOU Xia-Yu, RONG Chun-Ying, LU Tian, LIU Shu-Bin*, Hirshfeld Charge as a Quantitative Measure of Electrophilicity and Nucleophilicity: Nitrogen-Containing Systems, Acta Phys. Chim. Sin., 30 (11), 2055-2062 (2014)