Search Results

• 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

  DOI:10.4208/jams.061411.071011a

  26653 2613 pp. 227-235

• 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

  DOI:10.4208/jams.031213.052613a

  28676 3803 pp. 51-57

• 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

  DOI:10.4208/jams.021911.041411a

  33333 3055 pp. 368-376

• First-Principle Study of $Au_nSc_m (n=1-7,m=1,2)$ Clusters

  Gui-Xian Ge, Hong-Xia Yan, Qun Jing, Hai-Bin Cao, Jian-Jun Zhang

  2021-02-23

  DOI:10.4208/jams.091010.101510a

  27308 2950 pp. 129-142

• First-Principles Study of Electronic Structure and Optical Properties of the $LaAlO_3/SrTiO_3$ Interfaces

  M. J. Tang, S. Q. Yang, T. H. Liang, Q. X. Yang, K. Liu

  2013-04-01

  DOI:10.4208/jams.091012.100312a

  29687 3082 pp. 280-286

• Structural Stability and Electronic Structure of N- or C-Monodoped $TiO_2$ from First-Principles Calculations

  Chao-Hua Ma, Xin-Guo Ma, Cheng-Guo Li & Ling Miao

  2018-08-15

  DOI:10.4208/jams.111009.120609a

  27696 3727 pp. 78-86

• 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

  DOI:10.4208/jams.110709.112809a

  27665 2534 pp. 162-171

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

  X. F. Li, Z. L. Liu

  2012-03-01

  DOI:10.4208/jams.040911.050711a

  29008 3947 pp. 78-88

• Pressure Induced Phase Transition of ZrN and HfN: A First Principles Study

  A. T. Asvini Meenaatci, R. Rajeswarapalanichamy & K. Iyakutti

  2013-04-01

  DOI:10.4208/jams.121012.012013a

  29480 3425 pp. 321-335

• Quantum Chemistry PM3 Calculations of Sixteen mEGF Molecules

  Feng-Yu Li & Ji-Jun Zhao

  2018-08-15

  DOI:10.4208/jams.010410.012210a

  28719 3258 pp. 68-77

• Structures and Elastic Properties of Crystalline and Amorphous $BC_2N$ Solids

  Chun-Qiang Zhuang, Xue Jiang, Ji-Jun Zhao, Xin Jiang

  2010-01-01

  DOI:10.4208/jams.020210.022310a

  28988 2870 pp. 126-133

• First-Principles Study on the Structural and Electronic Properties of Double $N$ Atoms Doped-Rutile $TiO_2$

  Zhong-Liang Zeng, Guang Zheng, Xi-Cheng Wang, Kai-Hua He, Qi-Li Chen, Li Yu, Qing-Bo Wang

  2010-01-01

  DOI:10.4208/jams.110809.112909a

  28231 2520 pp. 177-184

• 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

  DOI:10.4208/jams.102518.113018a

  30244 3061 pp. 42-45

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

  J. Mitroy

  2010-01-01

  DOI:10.4208/jams.071510.072110a

  29652 2806 pp. 275-279

• A New Global Search for the Ground State Structure of Small Cluster: Application to S6

  Ming-Bang Lv, Yan Cheng, Yi Zhao, Min Fu

  2013-04-01

  DOI:10.4208/jams.072512.092112a

  28060 2803 pp. 357-366

• 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

  DOI:10.4208/jams.022514.031414a

  28599 2978 pp. 289-300

• Quantum Chemical Studies on NiO Nanoclusters

  S. Sriram, R. Chandiramouli, D. Balamurugan, K. Ravichandran, A. Thayumanavan

  2013-04-01

  DOI:10.4208/jams.012013.032213a

  29291 3051 pp. 336-348

• 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

  DOI:10.4208/jams.031112.042212a

  28213 3103 pp. 49-58

• 24R-Type LPSO Microstructure of the Novel Mg-Y-Zn Alloy

  Yong-He Deng

  2013-04-01

  DOI:10.4208/jams.031112.042312a

  29750 2916 pp. 64-71

• Structural Properties of $Rh_n (n=2$∼$100)$ Clusters by Using Gupta Potential with the Simulation of Quenching Method

  Mailitan Kailaimu, Chun-Li Li, Hai-Ming Duan

  2013-04-01

  DOI:10.4208/jams.102312.112412a

  29035 2903 pp. 235-244

• Fine Structures of $1s^2np$ and $1s^2nd$ States for $Zn^{27+}$ Ion

  Zhi-Wen Wang, Yuan-Yuan Qi, Lei Sha

  2012-03-01

  DOI:10.4208/jams.032211.041611a

  29212 3112 pp. 59-63

• The Potential Energy Curves and Spectral Constants of $Si_2N$

  Xiaoqin Han, Xiajie Xiao

  2022-06-15

  DOI:10.4208/jams.071215.081615a

  28526 2619 pp. 172-178

• The First-Principle Study on Wide-Gap Semiconductor Material $CuYO_2$

  Zhi-Jie Fang, Man Mo, Ji-Zhen Zhu, Xiu-Yan Zhang, Zheng-Lin Li

  2021-02-23

  DOI:10.4208/jams.051512.060312a

  28232 2962 pp. 169-175

• Thermodynamic Properties of $Zr_2Al$ Under High Pressure from First-Principles Calculations

  X. L. Yuan, D. Q. Wei, Y. Cheng, Q. M. Zhang, Z. Z. Gong

  2021-02-23

  DOI:10.4208/jams.071011.080511a

  27291 2984 pp. 160-170

• Effects of Intergranular Phase and Structure Defect on the Coercivity for the HDDR Nd-Fe-B Bonded Magnet

  Min Liu, Xiao-Chen Jin, Ru-Wei Gao

  2012-03-01

  DOI:10.4208/jams.053111.071211a

  27210 3134 pp. 218-226

• Pressure Induced Phase Transition and Superconducting Properties of PtH and IrH: A First Principles Study

  G. Sudhapriyanga, A. T. Asvinimeenaatci, R. Rajeswarapalanichamy, K. Iyakutti

  2014-05-01

  DOI:10.4208/jams.041313.062213a

  28414 3367 pp. 64-80

• Solvent Effects on One- and Two-Photon Optical Properties of a Novel 2, 2':6', 2''-Terpyridine-Based Chromophore

  Hong-Juan Ding, Jie Sun, Yu-Jin Zhang, Chuan-Kui Wang

  2013-04-01

  DOI:10.4208/jams.082012.091512a

  29061 3226 pp. 349-356