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My investigation focuses on the computational studies on structural, electronic, and optical properties of materials.
[1] Wang Ying-Feng*; Huang Jiangen; Wang Zhi-Jun; Liu Xue-Xia; Li Jia; Li Zhi-Ru*; Superalkali-alkalide ion pairs +(M-HMHC)-M’- (M, M’ = Li, Na and K) serving as high-performance NLO molecular materials. Journal of Molecular Liquids, 2022, 349: 11801.
[2] Wang Ying-Feng*; Wang Jia-Jun; Li Jia; Liu Xue-Xia; Wang Zhi-Jun; Huang Jiangen; Li Zhi-Ru*; From an electride-like super alkali earth atom to a superalkalide or superalkali electride: M(HF)3M (M = Na or Li) as field-induced excellent inorganic NLO molecular switches. Journal of Materials Chemistry C, 2021, 9: 14885-14896.
[3] Wang Ying-Feng*; Qin Tian; Huang Jiangen; Yang Kai; Li Zhi-Ru*; Switching from an electride-like molecule to the molecular electride K-F6C6H6 driven by an oriented external electric field. Physical Chemistry Chemical Physics, 2021, 23: 1443-1453.
[4] Tang Jia-Min; Wang Ying-Feng*; Qin Tian; Liu Xue-Xia; Wang Zhijun; Huang Jiangen; Zhang Hua-Rong; Li Zhi-Ru*; Conversions of localized excess electrons and spin states under external electric field: Inter-cage electron-transfer isomer (C20F20)3&K2. International Journal of Quantum Chemistry, 2021, 121: e26614.
[5] Wang Ying-Feng*; Qin Tian; Tang Jia-Min; Liu Yan-Jiao; Xie Miao; Li Jia; Huang Jiangen; Li Zhi-Ru*; Novel inorganic aromatic mixed-valent superalkali electride CaN3Ca: An alkaline-earth-based high-sensitivity multi-state nonlinear optical molecular switch, Physical Chemistry Chemical Physics, 2020, 22: 5985-5994.
[6] Yi Xiu-Guang; Wang Ying-Feng*; Qin Tian; Liu Xue-Xia; Jiang Shu-Ling; Huang Jiangen; Yang Kai; Li Jia; Li Zhi-Ru*; Electric field induced intra-molecular self-redox: superalkali Li3N3Mg as a candidate for NLO molecular switches, Physical Chemistry Chemical Physics, 2020, 22: 21928-21937.
[7] Wang Ying-Feng*; Qin Tian; Huang Jiangen; Yang Kai; Li Zhi-Ru*; Hopping of Li@AR (AR = benzene and naphthalene) between electride and lithium salt configurations brings considerably different first hyperpolarizabilities: candidate for high-performance nonlinear optical molecular switches, The Journal of Physical Chemistry C, 2019, 123(38): 24248-24254.
[8] Wang Ying.-Feng; Li Jia; Huang Jiangen*; Qin Tian; Liu Yun-Meng; Zhong Fan; Zhang Wen; Li Zhi-Ru*; Long-range charge transfer driven by external electric field in alkalides M-LCaL-M (M = Li or Na, L = All-cis 1,2,3,4,5,6-Hexafluorocyclohexane): facially polarized janus-type second order nonlinear molecular optical switches, The Journal of Physical Chemistry C, 2019, 123(38): 23610-23619.
[9] Huang Jiangen*; Wang Ying.-Feng; Xu Ling; Liu Yun-Meng; Zhou Guangpei; Li Jia; Li Zhi-Ru*; Theoretical insights into the effect of heterocycles of the molecular framework on photochromic magnetic properties of diarylethene compounds. Journal of Physical Organic Chemistry, 2019, 32: e3973.
[10] Huang Jiangen*; Wang Ying.-Feng; Zhou Guangpei; Li Jia; Li Zhi-Ru*; Theoretical insights into the magneto-structural correlation: Comparison between series of copper(I) and silver(I) metal complexes with nitronyl nitroxide radicals. Computational and Theoretical Chemistry, 2018, 1141: 53-65.
[11] Wang Ying-Feng*; Huang Jiangen; Li Zhi-Ru*; Theoretical insight into the open‐shell singlet diradical character of single molecular solvated dielectron e2@CnFn (n=20, 28, 36, 50, 60, and 80). Journal of Physical Organic Chemistry, 2017, 30: e3625.
[12] Wang Ying-Feng*; Li Bo; Huang Jiangen; Li Jia; Li Zhi-Ru*; Effect of alkaline earth metal atom on the large static first hyperpolarizabilities of alkaline earth-based alkalides Be(NH3)nM (M = Be and Ca) in comparison with alkalides Li(NH3)nNa (n = 1-3). Computational and Theoretical Chemistry, 2015, 1051: 10-16.
[13] Wang Ying-Feng*; Huang Jiangen; Li Jia; Zhou Guangpei; Theoretical investigation of the structures, stabilities, and NLOresponses of calcium-doped pyridazine: Alkaline-earth-based alkalinesalt electrides. Journal of Molecular Graphics and Modelling, 2014, 47: 77-82.
[14] 周光培; 王银锋*; 张定娃; 黄俭根; 李志儒*; 锂掺杂胺化物中氮原子配位数效应对结构和非线性光学性质的影响. 中国科学: 化学, 2013, 43(10): 1375-1380.
[15] Wang Ying-Feng*; Huang Jiangen; Zhou Guangpei; Coordination number effect of nitrogen atom on the structures and NLO responses: alkaline earth-based alkalides. Structural Chemistry, 2013, 24(5):1545-1553.
[16] 王银锋* 黄俭根; 周光培; 李志儒*; 非对称笼间电子迁移异构体与电场诱导电子迁移. 物理化学学报, 2012, 28(11): 2574-2580.
[17] Wang Ying-Feng; Li Ying; Zhou Zhong-Jun; Li Zhi-Ru*; Wu Di; Huang Jiangen; Gu Feng Long. Inter-cage electron transfers driven by electric field in Robin-Day-type molecules. ChemPhysChem, 2012, 13: 756-761.
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Wen-Hao Xu, Jie-Ji Lv, Liang Hua,Yin-Feng Wang,Zhi-Jun Wang,Xuexia Liu,Jia Li,Jiangen Huang,Zhi-Ru Li
PHYSICAL CHEMISTRY CHEMICAL PHYSICSno. 5 (2024): 4702-4715
Physical chemistry chemical physics : PCCPno. 5 (2024): 4702-4715
CLINICAL AND EXPERIMENTAL OBSTETRICS & GYNECOLOGYno. 5 (2023): 100-100
China Medical Cosmetologyno. 11 (2023)
Physical chemistry chemical physics : PCCP (2023)
Communications in Mathematics and Statisticspp.1-19, (2023)
ACS omegano. 33 (2023): 30612-30620
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