Search Results

• Density Functional Study on the Structural, Frontier Orbital, Electronic, and Magnetic Properties of the Transitional Metal Clusters $Pd_5(CO)_n$ $(n=1$ to $6)$

  Chun-Mei Tang, Hui Wang, Wei-Hua Zhu, Ming-Yi Liu, Ai-Mei Zhang, Jiang-Feng Gong, Hua Zou, Wei Guo

  2013-04-01

  28212 3102 Pages:49-58

• Electron Impact Ionization Cross Sections of Allene and Propane Molecules at Low and High Energy Range

  Neelam Tiwari, Yogesh Kumar, Leeza Jain, Manoj Kumar, Surekha Tomar

  2012-03-01

  27827 3310 Pages:209-217

• Theoretical Studies on Electronic Transport Properties of 2,5-Dimercapto-Pyridazin Molecular Junctions: Influence of $CO$ and $H_2O$ Molecules

  Ying-Feng Zhang, Xiao-Hua Yi, Zheng Zhang, Jun-Xia Sun, Zong-Liang Li

  2015-06-01

  27471 2541 Pages:263-271

• Quantum Chemistry PM3 Calculations of Sixteen mEGF Molecules

  Feng-Yu Li & Ji-Jun Zhao

  2018-08-15

  28718 3255 Pages:68-77

• 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

  27267 2542 Pages:131-135

• Algebraic Approach to Geometric Quantum Speed Limits in Triatomic Molecules

  Hairan Feng, Peng Li, Xianfang Yue, Yujun Zheng

  2016-07-01

  28066 2641 Pages:207-212

• Electron Impact Ionization Cross Sections of $C_2H_2$ and $CH$ Molecules at Low and High Energy Range

  Neelam Tiwari, Yogesh Kumar & Surekha Tomar

  2010-01-01

  28247 2748 Pages:301-307

• Conductance of Carbon Atomic Wire in the Environment of $H_2O$ Molecules

  Yan-Hong Zhou & You-Lin Peng

  2010-01-01

  28040 2711 Pages:318-324

• Theoretical Investigation of Inelastic Electron Tunneling Spectroscopy of Bimolecular Junctions

  Wei Li, Jian-Cai Leng, Chuan-Kui Wang

  2012-03-01

  25907 2594 Pages:262-269

• Electron-Impact Ionization of SiCl, $SiC_2$ and $SiCl_4$ Molecules

  C. V. Pandya

  2013-04-01

  28635 3514 Pages:41-48

• 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

  27279 2619 Pages:122-126

• The Mechanism Research for the Surface Plasmon-Catalysed Reaction of the Mercapto Group Substituted Benzoic Acid

  Jiyu Wang, Jing Wang, Caiqing Ma, Meixia Zhang, Yong Ding, Peng Song, Fengcai Ma

  2017-08-01

  28460 2958 Pages:70-74

• Quantum and Closed-Orbit Theory Calculations for the Photodetachment cross Sections of $H^-$ near Two Perpendicular Elastic Planes

  Haijun Zhao, Xiaoqin Liu, Weilong Liu

  2016-07-01

  28820 3295 Pages:25-32

• Field-Free Permanent Alignment of Ionized Nitrogen Molecules

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

  2017-08-01

  30869 3177 Pages:22-25

• Progress of Selection Rules in High-Order Harmonic Generation

  Shengjun Yue, Hongchuan Du, Hongmei Wu, Jinbin Li, Shengwei Yue, Bitao Hu

  2017-08-01

  30096 3365 Pages:10-17

• Coulomb Three-Body Effects in the Single Ionization of Helium by 16MeV $O^{7+}$ Impact

  Shiyan Sun, Xiangyang Miao, Xiangfu Jia

  2016-07-01

  29356 3264 Pages:11-16

• Configurational Prediction of CYP2A6 Substrate Would Guide the Screening of Potential Substrate

  Huizi Man & Yan Jia

  2019-04-09

  30606 2905 Pages:46-52

• Nonlinear Optical Properties of Metal/Metal Free Porphyrins and Their Graphene Oxide Composites in Picosecond Regime

  Jiancai Leng, Jie Sun, Yujin Zhang

  2018-07-10

  28136 2655 Pages:105-109

• A Graphic Method for Computing Multi-Atomic Resonant Photoemission Cross Section

  Yinghao Zhu, Xiaoguang Ma, Yang Liu

  2015-06-01

  27778 2629 Pages:137-144

• Bound State Solutions of Exponential-Coshine Screened Coulomb Plus Morse Potential

  Akpan N. Ikot, Oladunjoye A. Awoga, Benedict I. Ita

  2012-03-01

  28378 2963 Pages:285-296

• 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

  30591 3653 Pages:7-12

• Effects of the Laser Field on Dynamical Entanglement in Triatomic Molecules

  Hairan Feng, Xianfang Yue & Peng Li

  2018-07-10

  28020 3145 Pages:173-175

• 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

  29073 3613 Pages:30-40

• Theoretical Raman and FTIR Vibrational Analysis of 2-Phenyl-1H-Indene-1,3(2H)-Dione by Ab Initio Method

  Jitendra Pathak, Vijay Narayan, Leena Sinha, Onkar Prasad

  2021-02-23

  27819 3282 Pages:95-105

• Different Influence of Pyrimidine and Benzene Rings on Current-Voltage Characteristics of Molecular Devices

  Xiao-Xiao Fu, Zong-Liang Li

  2021-02-23

  27950 3526 Pages:106-113

• 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

  26275 2475 Pages:367-374

• Dissociation of Cyclopropanone Molecule and Ion

  Jin-Yu Cui

  2014-05-01

  28818 2806 Pages:132-138