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

  DOI:10.4208/jams.012510.021610a

  28299 3476 pp. 18-40

• 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

  DOI:10.4208/jams.012712.031412a

  29653 3469 pp. 1-17

• Theoretical Study of Transition Metal Oxide Clusters ($TM_nO_m$) [(TM-Pd, Rh, Ru) and ($n, m =1, 2)$]

  Apoorva Dwivedi, Neeraj Misra

  2012-03-01

  DOI:10.4208/jams.092511.102611a

  28235 2870 pp. 297-307

• Tight-Binding Calculation of Growth Mechanism of Graphene on Ni(111) Surface

  Chen Zhou, Jing Hu, Yuan Tian, Qian-Ying Zhao, Ling Miu, Jian-Jun Jiang

  2012-03-01

  DOI:10.4208/jams.101411.111611a

  26702 2867 pp. 270-278

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

  Xiao-Xiao Fu, Zong-Liang Li

  2021-02-23

  DOI:10.4208/jams.040111.042811a

  27951 3527 pp. 106-113

• The Synthesis, Structural Characterization and Superconductivity of $FeSe_x$ with $0.80 \leq x \leq 1.20$

  Xiao-Li Shen

  2012-03-01

  DOI:10.4208/jams.040311.051411a

  28753 4396 pp. 89-94

• Properties and Phase Transitions of the Solid $\beta$-HMX: Different Force Fields

  Shuo Liu, Jing Chang, Dong-Qing Wei, Xiang-Rong Chen, Qing-Ming Zhang, Zi-Zheng Gong, Guang-Fu Ji, Yong-Xin Guo

  2012-03-01

  DOI:10.4208/jams.032811.051411a

  28802 3674 pp. 41-48

• Elastic Properties and Phonon Dispersion of bcc Vanadium under Pressure from First Principles

  L.-Q. Zhang, Y. Cheng, Z.-W. Niu

  2014-05-01

  DOI:10.4208/jams.072513.101413a

  27636 3436 pp. 81-94

• Theoretical Study on the Interaction Potential and Bound States of the Ne-Beh Complex

  Chun-Zao Zhang, Zhong-Quan Wang

  2011-02-01

  DOI:10.4208/jams.102110.111410a

  25716 2467 pp. 247-254

• 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

  DOI:10.4208/jams.122810.011811a

  26654 2613 pp. 225-233

• Electronic Structure, Electric Moments and Vibrational Analysis of 3-(2-Methoxyphenoxy) Propane-1,2-Diol by Ab Initio and Density Functional Theory

  Leena Sinha, Amarendra Kumar, Vijay Narayan, Rajesh K. Srivastava, Onkar Prasad

  2011-02-01

  DOI:10.4208/jams.012111.022311a

  27157 2857 pp. 212-224

• Theoretical Studies of Partition Functions of Flue Gas $SO_2$-Isotope

  Dong-Lan Wu, An-Dong Xie, Hui-Jun Wan

  2021-02-23

  DOI:10.4208/jams.111210.122310a

  26440 2749 pp. 170-178

• DFT and TD-DFT Studies on a Schiff Base Containing Phenylalanine Derived from Curcumin

  Ping Deng, Hai-Dong Zhang, Jun-Hao Jiang, Qi-Hua Jiang

  2018-08-15

  DOI:10.4208/jams.081910.092010a

  27873 3291 pp. 51-57

• The Coulomb Attraction in Hydrogen May Not Be of Long Range

  Cheng-Gang Gu

  2010-01-01

  DOI:10.4208/jams.020210.050710a

  27646 2739 pp. 325-336

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

  J. Chang, Y. Cheng & M. Fu

  2010-01-01

  DOI:10.4208/jams.012410.031810a

  25370 2694 pp. 243-252

• Density Functional Theory Study of Electronic Structures in Lithium Silicates: $Li_2SiO_3$ and $Li_4SiO_4$

  Tao Tang & De-Li Luo

  2010-01-01

  DOI:10.4208/jams.110609.113009a

  27906 3255 pp. 185-200

• Rotational Structure of Weakly Bound Molecular Ions

  Mikhail Lemeshko & Bretislav Friedrich

  2018-08-15

  DOI:10.4208/jams.101009.110209a

  28674 3666 pp. 41-47

• 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

  DOI:10.4208/jams.042611.051411a

  29223 3628 pp. 1-22

• A Novel Imprinted Electrochemical Sensor for Dopamine Determination Based on Electron Conductivity Enhanced by Ferrocenyl Chalcone Derivative Film

  Liming Chen, Defang Liu & Caixia Wang

  2019-04-09

  DOI:10.4208/jams.100818.112418a

  32995 2760 pp. 58-61

• 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

  DOI:10.4208/jams.050818.072418a

  31201 3644 pp. 13-16

• Theoretical and Experimental Study of Surface-Enhanced Raman Scattering of 4,4'-Bipyridine Molecule on Graphene

  Yong Ma, Shengyu Wang, Zhen Li, Wei Hu, Shouzhen Jiang, Xiuneng Song, Chuankui Wang

  2018-07-10

  DOI:10.4208/jams.112317.122817a

  27800 2665 pp. 127-130

• In Situ Measurement and Monitoring of Diphenyl Disulfide in Ethanol Solution by SERS

  Shiwei Wu, Yu liu, Jing Wang, Caiqing Ma, Yao Zhang, Lixin Xia

  2017-08-01

  DOI:10.4208/jams.060417.090517a

  28282 2649 pp. 84-87

• 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

  DOI:10.4208/jams.080117.091717a

  27878 2805 pp. 75-83

• 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

  DOI:10.4208/jams.072817.092017a

  28348 2755 pp. 55-62

• Effect of Gate Width on High Harmonic Generation from Polarization Gating Pulse with Longer Pulse Duration

  Gao Chen

  2017-08-01

  DOI:10.4208/jams.050817.062317a

  29113 3135 pp. 26-30

• Non-Sequential Double Ionization of $CO_2$ Molecule and Kr Atom in Linearly Polarized Laser Fields

  Kaili Song, Yanrong Tian, Shuai Ben, Tongtong Xu, Hongdan Zhang, Xue-Shen Liu, Jing Guo

  2017-08-01

  DOI:10.4208/jams.050817.072517a

  30884 3496 pp. 1-4

• External Electric Field Dependent Photoinduced Charge Transfer in Donor-PC71BM System for an Organic Solar Cell

  Xiaoling Fu, Qiao Zhou, Yong Ding, Peng Song, Fengcai Ma

  2016-07-01

  DOI:10.4208/jams.021516.042216a

  28392 2719 pp. 64-76