Search Results

• 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

  28110 3330 Pages:18-40

• 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

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

  J. Mitroy

  2010-01-01

  29437 2749 Pages:275-279

• Study on $H_3^+$ Formation by Synchrotron Radiation

  Qiang Zhang, Maoqi Cao, Xiaobin Shan, Yuquan Li, Zhenya Wang, Liusi Sheng

  2014-05-01

  27561 2506 Pages:148-155

• 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

• Ab Initio Study on the Aromaticity of All-Metallic Anion $La^{2-}_4$

  Yong Liu, Ming Xiao, Huai-Xing Wang, Xian-Xing Chi

  2014-05-01

  28402 3669 Pages:51-57

• First-Principles Investigations of Structural and Electronic Properties of Niobium Nitrides under Pressures

  X. F. Li, Z. L. Liu

  2012-03-01

  28814 3809 Pages:78-88

• 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

• Elastic Low-Energy Electron Collisions with Methylamine

  Kedong Wang, Ju Meng

  2022-06-15

  27885 2615 Pages:190-196

• 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

  28505 2685 Pages:125-134

• 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

  27686 2709 Pages:75-83

• 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

• First-Principles Calculations of Thermodynamic Properties of Superhard Orthorhombic $\beta-BC_2N$

  J. Chang, Y. Cheng & M. Fu

  2010-01-01

  25192 2629 Pages:243-252

• 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 Study of the Spectroscopic Constant and Anharmonic Force Field of $PO^-_2$

  Pengfei Wang, Chonghai Qi, Meishan Wang, Chuanlu Yang, jing Li

  2015-06-01

  27730 2485 Pages:92-102