Search Results

• Ab Initio Calculation on the Low-Lying Excited States of BSe(+) Cation Including Spin-Orbit Coupling

  Siyuan Liu, Hongsheng Zhai

  2022-06-15

  27669 2519 Pages:197-205

• Theoretical Study on Spectroscopy and Molecular Constants of the Ground and Low-Lying Excited States of GeO Molecule

  Duo-Hui Huang, Ming-Jie Wan, Jun-Shen Yang, Qi-Long Cao, Hua-Feng Luo, Fan-Hou Wang

  2021-02-23

  28499 3104 Pages:301-310

• CASPT2 Study on the Low-Lying Electronic States of $m$-$C_6H_4F^+_2$ Ion

  Shu-Yuan Yu, Cheng-Gen Zhang

  2014-05-01

  28064 2390 Pages:171-177

• First-Principles Calculations of the Electronic Structures and Optical Properties of Mg- and Sr-Doped $CaF_2$

  Fang Peng, Yu-Feng Peng, Guang Zheng, Cong-Cong Zhai

  2014-05-01

  29133 2819 Pages:110-122

• Fine Structures of $1s^2np$ and $1s^2nd$ States for $Zn^{27+}$ Ion

  Zhi-Wen Wang, Yuan-Yuan Qi, Lei Sha

  2012-03-01

  29124 3055 Pages:59-63

• A Simple Scheme for Realizing Six-Photon Entangled State Based on Cavity Quantum Electrodynamics

  Deng-Yu Zhang, Shi-Qing Tang, Xin-Wen Wang, Li-Jun Xie

  2012-03-01

  26902 2963 Pages:73-77

• The Theoretical Research on the Chiral Transition of Ibuprofen Molecules under Isolated Conditions

  Zuo-Cheng Wang, Feng-Ge Liu, Li-Ping Wang, Hua Tong, Tian-Rong Yu, Li-Rong Dong

  2021-02-23

  28495 2937 Pages:289-300

• Ambient Molecule Effects on the Electronic Transport of Pyrene-1,8-Dithiol Molecular Junction

  Jun-Jie Bi, Ran Liu, Huan-Yan Fu, Feng Sun, Zong-Liang Li

  2018-07-10

  27173 2584 Pages:122-126

• Investigating Spectral Red Shift Mechanism of Fluorescent Chromophores Using Time-Dependent Density Functional Theory

  Pei-Li Zhao, Huan Lou, Jing-Bin Xu, Jian Song

  2022-06-15

  27647 2838 Pages:206-214

• Field-Free Permanent Alignment of Ionized Nitrogen Molecules

  Mingwei Lei, Qingqing Liang, An Zhang, Chengyin Wu, Hongbing Jiang

  2017-08-01

  30761 3111 Pages:22-25

• A Theoretical Analysis of the Nonadiabatic Photodissociation of HF and DF Molecules: Fine-Structure Distributions of the $F(^2P_J)$ Product

  Yuan-Jun Li, Pei-Yu Zhang, Ke-Li Han

  2018-08-15

  28197 3401 Pages:18-40

• First-Principles Study on the Structural and Electronic Properties of Double $N$ Atoms Doped-Rutile $TiO_2$

  Zhong-Liang Zeng, Guang Zheng, Xi-Cheng Wang, Kai-Hua He, Qi-Li Chen, Li Yu, Qing-Bo Wang

  2010-01-01

  28123 2484 Pages:177-184

• Electronic and Optical Properties of Graphene Adsorbed with Methanol Molecules: First-Principles Calculations

  Xiuwen Zhao, Mengyao Liu, Xiaotian Zhang, Yufeng Li, Xiaobo Yuan, Junfeng Ren

  2018-07-10

  27166 2508 Pages:131-135

• Theoretical Study of Small Niobium Sulphide Clusters, $Nb_nS_m (m,n=1, 2)$

  Saurabh Pandey, Ambrish Kumar Srivastava, Anoop Pandey, Neeraj Misra

  2014-05-01

  29396 2988 Pages:231-237

• Density Functional Theory Study of the Catalytic Reaction of $N_2O(^1\sum)$ with $CO(^1\sum^+)$ by $Ni^+$

  Dong-Ping Chen, Ke Gai, Chao Kong, Yan-Xia Han, Li-Jie Hou, Bo-Wang Wu

  2014-05-01

  27829 3227 Pages:9-20

• State Energies and Transition Frequency of Strong-Coupling Polaron in an Anisotropic Quantum Dot

  Yong Sun, Zhao-Hua Ding, Jing-Lin Xiao

  2021-02-23

  29589 2766 Pages:176-182

• Can the Fluorescence Quantum Yield Be Enhanced by Introducing the Benzene Ring to the Blue Fluorescent Protein Chromophore?

  Bing Liu, Qi Wei, Ruihu Tao, Pengjie Gao, Panwang Zhou, Chaozhuo Liu & Li Zhao

  2019-01-30

  30148 3013 Pages:42-45