| The structure and the large nonlinear optical properties of Li@ Calix [4] pyrrole W Chen, ZR Li, D Wu, Y Li, CC Sun, FL Gu Journal of the American Chemical Society 127 (31), 10977-10981, 2005 | 349 | 2005 |
| Structures and large NLO responses of new electrides: Li-doped fluorocarbon chain HL Xu, ZR Li, D Wu, BQ Wang, Y Li, FL Gu, Y Aoki Journal of the American Chemical Society 129 (10), 2967-2970, 2007 | 277 | 2007 |
| Nonlinear optical properties of alkalides Li+ (calix [4] pyrrole) M-(M= Li, Na, and K): alkali anion atomic number dependence W Chen, ZR Li, D Wu, Y Li, CC Sun, FL Gu, Y Aoki Journal of the American Chemical Society 128 (4), 1072-1073, 2006 | 235 | 2006 |
| Compounds of Superatom Clusters: Preferred Structures and Significant Nonlinear Optical Properties of the BLi6-X (X = F, LiF2, BeF3, BF4) Motifs Y Li, D Wu, ZR Li Inorganic chemistry 47 (21), 9773-9778, 2008 | 170 | 2008 |
| An ab Initio Prediction of the Extraordinary Static First Hyperpolarizability for the Electron-Solvated Cluster (FH)2{e}(HF) Y Li, ZR Li, D Wu, RY Li, XY Hao, CC Sun The Journal of Physical Chemistry B 108 (10), 3145-3148, 2004 | 148 | 2004 |
| Theoretical investigation of the large nonlinear optical properties of (HCN) n clusters with Li atom W Chen, ZR Li, D Wu, RY Li, CC Sun The Journal of Physical Chemistry B 109 (1), 601-608, 2005 | 144 | 2005 |
| Large static first and second hyperpolarizabilities dominated by excess electron transition for radical ion pair salts M 2+ TCNQ−(M= Li, Na, K) ZJ Li, FF Wang, ZR Li, HL Xu, XR Huang, D Wu, W Chen, GT Yu, FL Gu, ... Physical Chemistry Chemical Physics 11 (2), 402-408, 2009 | 142 | 2009 |
| On the potential application of superalkali clusters in designing novel alkalides with large nonlinear optical properties WM Sun, LT Fan, Y Li, JY Liu, D Wu, ZR Li Inorganic chemistry 53 (12), 6170-6178, 2014 | 128 | 2014 |
| Structures and Considerable Static First Hyperpolarizabilities: New Organic Alkalides (M+@n6adz)M‘- (M, M‘ = Li, Na, K; n = 2, 3) with Cation Inside and Anion … FF Wang, ZR Li, D Wu, BQ Wang, Y Li, ZJ Li, W Chen, GT Yu, FL Gu, ... The Journal of Physical Chemistry B 112 (4), 1090-1094, 2008 | 126 | 2008 |
| The static polarizability and first hyperpolarizability of the water trimer anion: Ab initio study W Chen, ZR Li, D Wu, FL Gu, XY Hao, BQ Wang, RJ Li, CC Sun The Journal of chemical physics 121 (21), 10489-10494, 2004 | 123 | 2004 |
| The interaction between superalkalis (M 3 O, M= Na, K) and a C 20 F 20 cage forming superalkali electride salt molecules with excess electrons inside the C 20 F 20 cage … JJ Wang, ZJ Zhou, Y Bai, ZB Liu, Y Li, D Wu, W Chen, ZR Li, CC Sun Journal of Materials Chemistry 22 (19), 9652-9657, 2012 | 105 | 2012 |
| Ab Initio Investigation on a New Class of Binuclear Superalkali Cations M2Li2k+1+ (F2Li3+, O2Li5+, N2Li7+, and C2Li9+) J Tong, Y Li, D Wu, ZR Li, XR Huang The Journal of Physical Chemistry A 115 (10), 2041-2046, 2011 | 105 | 2011 |
| Lithiation and Li-doped effects of [5] cyclacene on the static first hyperpolarizability HL Xu, ZR Li, D Wu, F Ma, ZJ Li, FL Gu The Journal of Physical Chemistry C 113 (12), 4984-4986, 2009 | 105 | 2009 |
| Structural properties and nonlinear optical responses of superatom compounds BF4‐M (M= Li, FLi2, OLi3, NLi4) H Yang, Y Li, D Wu, Z Li International Journal of Quantum Chemistry 112 (3), 770-778, 2012 | 98 | 2012 |
| Inverse sodium hydride: density functional theory study of the large nonlinear optical properties W Chen, ZR Li, D Wu, Y Li, RY Li, CC Sun The Journal of Physical Chemistry A 109 (12), 2920-2924, 2005 | 97 | 2005 |
| Modulated Nonlinear Optical Responses and Charge Transfer Transition in Endohedral Fullerene Dimers Na@C60C60@F with n-Fold Covalent Bond (n = 1, 2 … F Ma, ZR Li, ZJ Zhou, D Wu, Y Li, YF Wang, ZS Li The Journal of Physical Chemistry C 114 (25), 11242-11247, 2010 | 94 | 2010 |
| Tunable photoluminescence and spectrum split from fluorinated to hydroxylated graphene P Gong, J Wang, W Sun, D Wu, Z Wang, Z Fan, H Wang, X Han, S Yang Nanoscale 6 (6), 3316-3324, 2014 | 93 | 2014 |
| Theoretical study on polynuclear superalkali cations with various functional groups as the central core J Tong, Y Li, D Wu, ZJ Wu Inorganic Chemistry 51 (11), 6081-6088, 2012 | 91 | 2012 |
| Low ionization potentials of binuclear superalkali B2Li11 J Tong, Y Li, D Wu, ZR Li, XR Huang The Journal of chemical physics 131 (16), 2009 | 89 | 2009 |
| Do single-electron lithium bonds exist? Prediction and characterization of the H3C⋯ Li–Y (Y= H, F, OH, CN, NC, and CCH) complexes Y Li, D Wu, ZR Li, W Chen, CC Sun The Journal of chemical physics 125 (8), 2006 | 86 | 2006 |
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