Search Results

• The Effect of External Electric Field on AlH Radical

  Dong-Lan Wu, Bin Tan, Hui-Jun Wan, Yu-Feng Wen, An-Dong Xie

  2021-02-23

  27791 2887 Pages:324-330

• The Potential Energy Curves and Spectral Constants of $Si_2N$

  Xiaoqin Han, Xiajie Xiao

  2022-06-15

  28520 2616 Pages:172-178

• An Ab Initio Study of the Ground and Low-Lying Excited States of $LiBe^+$

  Yang You, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma, Wen-Wang Liu

  2015-06-01

  29327 2675 Pages:63-71

• Excited State Process of a Novel NIR-BODI Molecule in Toluene and Acetonitrile Solvents: A Theoretical Study

  Jia Li, Meixia Zhang, Can Du, Peng Song & Xiaodong Li

  2018-07-10

  27955 2829 Pages:162-168

• Accurate Ab Initio-Based Potential Energy Curve and Spectroscopic Properties of NO(X2Π) via Extrapolation to the Complete Basis Set Limit

  H.Y. Ma , L. Guo , Q. Guo & Y. Q. Li

  2017-08-01

  27873 2800 Pages:75-83

• ESIPT of 1-[N-(2-Pyridyl) Aminomethylidene]-2(1H)-Naphtalenone: A TDDFT Study

  Dapeng Yang, Rui Zheng, Yusheng Wang, Jian Lv

  2022-06-15

  27750 2497 Pages:215-224

• Accurate Potential Energy Function and Spectroscopic Properties of NS (X2Π) via Extrapolation to the Complete Basis Set Limit

  L. Guo, H.Y. Ma, W. Shi, L. L. Zhang, Y. Z. Song, Q. Guo, Y. Q. Li

  2017-08-01

  27372 2614 Pages:88-96

• Modulating N-H-Based Excited-State Intramolecular Proton Transfer by Different Electron-Donating/Withdrawing Substituents in 2-(2’-Aminophenyl)Benzothiazole Compounds

  Dapeng Yang, Guang Yang, Min Jia, Xiaoyan Song, Qiaoli Zhang & Tianjie Zhang

  2018-10-04

  30054 3486 Pages:17-20

• An Investigation of Excited-State Intramolecular Proton Transfer Mechanism of New Chromophore

  Yanling Cui, Pengyu Li, Jing Wang, Peng Song, Lixin Xia

  2018-08-15

  29622 3053 Pages:23-33

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

  Siyuan Liu, Hongsheng Zhai

  2022-06-15

  27759 2549 Pages:197-205

• Theoretical Elaboration about Excited State Behaviors and Fluoride Anion Sensor Mechanism for 2-{[2-(2-Hydroxy-Phenyl)-1H-Benzoimidazo-5-yl]-Phenyl-Methylene} Malononitrile

  Jia Li, Xiaodong Li, Shibo Cheng, Peng Song & Jinfeng Zhao

  2018-10-04

  30686 3507 Pages:1-6

• 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

  28600 3134 Pages:301-310

• Theoretical Insights into the Excited State Hydrogen Bond and ESIPT Reaction for 2-Amino-3-(2’-Benzoxazolyl)Quinoline and 2-Amino-3-(2’-Benzothiazolyl)-Quinoline

  Qiaoli Zhang, Guang Yang, Xiaoyan Song, Jinfeng Zhao & Dapeng Yang

  2018-10-04

  30587 3645 Pages:7-12

• 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

  28294 3465 Pages:18-40