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

  28495 2937 Pages:289-300

• High-Order-Harmonic Generation and Ionization from H2 by Time-Dependent Density-Functional Theory

  Shushan Zhou, Jing Guo, Jigen Chen, Yujun Yang

  2017-08-01

  30253 3237 Pages:18-21

• Entangled Trajectory Molecular Dynamics Theory for the Collinear $H+H_2$ Reaction

  Lifei Wang, Feng Xu, Yujun Zheng

  2014-05-01

  29139 3581 Pages:21-25

• Density Functional Theory Study of Hydrogenated $MAl_{12}$ $(M = Al,Li,Na,K)$ Clusters

  Mei Wang, Xiao-Wei Huang

  2021-02-23

  29782 2865 Pages:129-137

• Theoretical Investigation on the Interactions Between HRnCCH and $X(X=N_2, O_2, H_2O, NH_3)$

  Yu-Hua Han, Zheng-Wen Long, Bo Long, Chao-Yun Long, Shao-Hong Cai, Wei-Jun Zhang

  2012-03-01

  26559 2583 Pages:227-235

• Theoretical Investigation of Mechanism for the Gas-Phase Reaction of OH Radical and Ethane

  Xiao-Ping Hu, Bing-Xing Wang, Ying Gao, Bing Yang

  2011-02-01

  26567 2579 Pages:225-233

• Diamagnetic Spectra of Alkaline Earth Barium in a Magnetic Field

  Hui-Yan Meng

  2018-08-15

  27456 3666 Pages:58-64

• Modified Atomic Orbital Calculations for $(1s,nl)^3L^{\pi}$ and $_2 (1,0)_n^{±1,3}S^e$ Excited States of He Isoelectronic Sequence

  I. Sakho

  2010-01-01

  26294 2630 Pages:224-242

• Quantum Chemistry PM3 Calculations of Sixteen mEGF Molecules

  Feng-Yu Li & Ji-Jun Zhao

  2018-08-15

  28616 3195 Pages:68-77

• Calculations of the Transition Energies and Oscillator Strengths for $Cu^{26+}$ Ion

  Zhi-Wen Wang & Ye Li

  2018-08-15

  27831 3298 Pages:62-67

• Photoinduced Reaction of Excited Triplet 9,10-Anthraquinone Quenched by Antioxidant Vitamin C

  Sha Chen, Xian-Jun Cao, Yi Luo, Guang-Lai Zhu, Xin-Sheng Xu

  2014-05-01

  28802 2495 Pages:238-246

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

  Dapeng Yang, Rui Zheng, Yusheng Wang, Jian Lv

  2022-06-15

  27663 2470 Pages:215-224

• B-NiCo$_2$O$_4$/NF as an Efficient Electrocatalyst for HER

  Mengjie Zhang, Rongxing He & Ming Li

  2019-04-09

  62944 4949 Pages:7-9

• Sulfide Doped Cobalt Oxide Nanosphere as a Highly Efficient Electrocatalyst for Oxygen Evolution Reaction

  Qifei Guo, Yu Han & Rongxing He

  2019-04-09

  62726 5062 Pages:1-3

• 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

• Angular Distributions of Molecular Photofragments by Intense Ultrashort Laser Pulses

  Kai-Jun Yuan & Chuan-Cun Shu

  2019-01-30

  29249 2786 Pages:28-32

• An Potential Energy Surface for the $O+O_2$ Reaction Using Neural Network Approach

  Wentao Li & Zhigang Sun

  2019-01-30

  29547 2821 Pages:25-27

• Theoretical Investigation on the Antioxidant Activity of p-Cresol and Its Derivatives: Effects of Propenyl Group and Solvents

  Chaofan Sun, Huifang Zhao, Xiaochun Liu, Hang Yin & Ying Shi

  2018-10-04

  31089 3568 Pages:13-16