Search Results

• The Compression Behaviors of Zirconium from the First-Principle Calculations

  Lin Huang, Xiao-Li Yuan, Shou-Xin Cui, Dong-Qing Wei

  2013-04-01

  28714 2876 Pages:269-279

• 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

  151 100 Pages:176-182

• Total Ionization Cross Sections of $NO_2$, $CO$ and $CS$ Molecules Due to Electron Impact

  Manoj Kumar, Yogesh Kumar, Neelam Tiwari, Surekha Tomar

  2013-04-01

  28870 3472 Pages:30-40

• Molecular Structure, Vibrational Spectroscopic (FT-IR, FT-Raman),UV-Vis Spectra, First Order Hyperpolarizability, NBO Analysis, HOMO and LUMO Analysis, Thermodynamic Properties of 2,6-Dichloropyrazine by Ab Initio HF and Density Functional Method

  M. V. S. Prasad, N. Udaya Sri, A. Veeraiah, V. Veeraiah, K. Chaitanya

  2013-04-01

  29445 3339 Pages:1-17

• Theoretical Comparative Study on Hydrogen Storage of $BC_3$ and Carbon Nanotubes

  Xiu-Ying Liu, Li-Ying Zhang, Xiao-Feng Li, Guang-Sheng Kang, Zhi-Qin Fan

  2012-03-01

  26071 2406 Pages:367-374

• Simultaneous Suppression of Spontaneous Emission and Thermal Effect in Two-Level Trapped Ion System

  Zhong-Jie Wang, Chao-Yang Fan

  2021-02-23

  26265 2851 Pages:171-176

• Molecular Structure, Vibrational Spectroscopic (FT-IR, FT-Raman), First Order Hyperpolarizability, NBO Analysis, HOMO and LUMO Analysis, Thermodynamic Properties of 3,5-Dimethylbenzophenone by Ab Initio HF and Density Functional Method

  K. Chaitanya, C. Santhamma, K. V. Prasad, V. Veeraiah

  2012-03-01

  29035 3480 Pages:1-22

• Two-Body Coulomb Problems with Sources for the J-Matrix Method

  L. U. Ancarani, G. Gasaneo

  2011-02-01

  27084 2804 Pages:203-211

• Acoustic Phonon Transmission and Thermal Conductance in a Three-Stub Quantum Waveguide

  Jian-Hua Zhang

  2018-08-15

  25519 2412 Pages:65-73

• Structure of the LiPs and $e^+$Be Systems

  J. Mitroy

  2010-01-01

  29437 2749 Pages:275-279

• An EAM Potential for the Dynamical Simulation of Ni-Al Alloys

  Jian-Hua Zhang, Shun-Qing Wu, Yu-Hua Wen & Zi-Zhong Zhu

  2010-01-01

  26000 2489 Pages:253-261

• On the Dislocation Properties of 60$^{\circ}$ Partial Dislocation in Silver: Core Structure and Peierls Stress

  Shao-Rong Li, Shao-Feng Wang, Qun-Yi Wei & Xiao-Zhi Wu

  2010-01-01

  27468 2459 Pages:162-171

• Theoretical Study on the $K_{\alpha}$ Transition Properties of F-Like Ions

  X. L. Wang, J. J. Wan, Y. J. Wang, C. Z. Dong

  2010-01-01

  28849 2608 Pages:134-142

• First-Principles Study of Electronic and Magnetic Properties and Tetragonal Distortion of the Heusler Alloy $Mn_2NiAl$

  Li-Jin Luo, Chong-Gui Zhong, Jing-Huai Fang, Peng-Xia Zhou, Yong-Lin Zhao, Xue-Fan Jiang

  2011-02-01

  31312 2968 Pages:368-376

• Bound State Solutions of the $s$-Wave Klein-Gordon Equation with Position Dependent Mass for Exponential Potential

  Tong-Qing Dai

  2011-02-01

  31206 2735 Pages:360-367

• Preparation and Second-Order Nonlinearity of Organic/Inorganic Hybrid Materials Doped with Organic Chromophore

  Yun-Long Liu, Wen-Jun Wang, Xue-Xi Gao, Bing-Yuan Zhang, Hui Li

  2011-02-01

  31314 2714 Pages:334-341

• 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

  30017 2954 Pages:42-45

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

  Wentao Li & Zhigang Sun

  2019-01-30

  29439 2787 Pages:25-27

• Theoretical Calculations for Spectroscopic Constants and Anharmonic Force Field of ${\rm N}_2{\rm CO}$

  Qiushuang Xu, Meishan Wang, Yanliang Zhao, Yanli Liu, Xuejun Wang & Chuanlu Yang

  2019-01-30

  29176 2927 Pages:21-24

• 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

  30966 3493 Pages:13-16

• 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

  30395 3501 Pages:7-12

• Influences of Cell-Penetrating Peptide Concentration on the Penetration of Phospholipid Membrane

  Qi Wu, Kun Wu, Qing-Tian Meng

  2018-07-10

  25626 2445 Pages:141-145

• Revealing a New Mechanism Feature of F⁻+CH3Cl→Cl⁻+CH3F Reaction by Using Ab Initio Molecular Dynamics

  Yongfang Li, Dun-You Wang

  2018-07-10

  25656 2320 Pages:136-140

• 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

  27069 2555 Pages:122-126

• Influences of the Low Collision Energies and Isotopic Variants on the Stereodynamics for Reactions Li+DF/TF→LiF+D/T

  Xin Zhuang, Junmei Song, Luyan Sun, Tiantian Wang, Xinguo Liu

  2018-07-10

  27277 2403 Pages:117-121

• Comparison of Gaussian and Square Laser Pulses on Molecular Orientation

  Jingsong Liu, Qiyuan Cheng, Daguang Yue, Xucong Zhou, Qing-Tian Meng

  2018-07-10

  27782 2665 Pages:113-116

• 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

  28161 2674 Pages:55-62