Search Results

• 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

  28594 2977 Pages:289-300

• Quantum Dynamics Study of $H$ Exchange Reaction of $H'(^2S) + CH(X^2\Pi) → H(^2S) + CH'(X^2\Pi)$ and Isotope Reactions of $H(^2S)+CH(X^2\Pi)→C(^1D)+H_2(X^1\sum^+_g)$

  Yunhui Wang, Kaiming Deng, Ruifeng Lu

  2018-08-15

  28759 3070 Pages:11-22

• Total Cross Sections for Electron Scattering from $CF_4$, $C_2F_4$, $C_2F_6$, $C_3F_8$ in the Energy Range from 100 eV to 5000 eV

  Xiaoming Tan, Mingliang Liu

  2015-06-01

  28489 2675 Pages:113-118

• An Algebraic Method to Determine the Local Field of Condensed System

  Weiyi Ren, Taihong Chen, Mingshang Li

  2015-06-01

  27363 2549 Pages:145-154

• The Weakening or Enhancing of $N$-$H\cdots O$ Intermolecular Hydrogen Bond in Different Solvents Revealed by Density Functional Calculations

  Donglin Li, Yufang Liu

  2022-06-15

  28965 2968 Pages:164-171

• Rotation-Vibration Spectra for Ground State of NaH and Its Isotopes with Explicitly Multireference Configuration Interaction Method

  Xiao-ting Liu, Gui-ying Liang, Xiao-mei Zhang, Bing Yan

  2016-07-01

  28698 2751 Pages:125-134

• Excitation and Ionization of Xenon Atoms in Strong UV Laser Fields

  T. X. Yang, Y. Lian, R. Wang, S. W. Zhang, L. H. He, H. Lv, H. F. Xu

  2017-08-01

  27949 3189 Pages:49-54

• New Insight into the Hydrogen Bond Effects in One of PRODAN Derivatives (1a) on Excited State in Methanol Solvent

  Yang Liu, Dan Zhao, Jiawei Gao & Zhen Zhao

  2019-04-09

  31296 2927 Pages:53-57

• External Electric Field-Dependent Photoinduced Electron Transfer of Oligonaphthofurans-PC70BM in BJH Solar Cell

  Li Yang, Jing Wang, Meixia Zhang, Meiyu Zhao, Yumei Dai, Peng Song

  2017-08-01

  28345 2753 Pages:55-62

• 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

• Theoretical Studies on One-Photon and Two-Photon Absorption Properties of Platinum Acetylide Complexes

  Guan-Qun Xue, Wen-Hui Pu, Hui-Chen Si, Mei Wang, Tong Xin & Jing Li

  2018-07-10

  28141 2897 Pages:157-161