Search Results

• Density Functional Theory Study of Hydrogenated $MAl_{12}$ $(M = Al,Li,Na,K)$ Clusters

  Mei Wang, Xiao-Wei Huang

  2021-02-23

  29782 2865 Pages:129-137

• 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

  27219 2920 Pages:129-142

• DFT Studies on Configurations, Stabilities, and IR Spectra of Neutral Carbon Clusters

  Ping Li

  2012-03-01

  27077 2653 Pages:308-322

• 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

  28131 2839 Pages:297-307

• First-Principles Investigations on the Structural, Electronic and Magnetic Properties of Cr-Doped $(ZnTe)_{12}$ Clusters

  Hong-Xia Chen

  2011-02-01

  26040 2571 Pages:262-272

• Ab Initio Pseudopotential Study of Cluster Growth of Coinage Metal Telluride Clusters $Au_nTe_m$

  Q.-M. Surong, H. J. Yan, F.-M. Liu & Y. F. Zhao

  2010-01-01

  27554 2818 Pages:152-161

• Theoretical Study of Small Niobium Sulphide Clusters, $Nb_nS_m (m,n=1, 2)$

  Saurabh Pandey, Ambrish Kumar Srivastava, Anoop Pandey, Neeraj Misra

  2014-05-01

  29396 2988 Pages:231-237

• Structural, Vibrational and Electronic Properties of Small Group IV Oxide Clusters in Lower and Higher Spin State: A DFT Study

  Neeraj Misra, Apoorva Dwivedi, Anoop Kumar Pandey

  2012-03-01

  27723 3081 Pages:187-196

• Structures, Stabilities and Electronic Properties of $MSn_{10} (M=Li, Be, B, Ca)$

  Yu-Jie Bai, Kai-Ming Deng, Jing-Ling Shao, Ning Xu

  2014-05-01

  29106 2801 Pages:217-230

• Quantum Chemical Studies on NiO Nanoclusters

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

  2013-04-01

  29190 3010 Pages:336-348

• 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

  28940 2882 Pages:235-244

• Theoretical Studies on One-Photon and Two-Photon Absorption Properties of Platinum Acetylide Complexes

  Guan-Qun Xue, Wen-Hui Pu, Hui-Chen Si, Mei Wang, Tong Xin & Jing Li

  2018-07-10

  28052 2868 Pages:157-161

• 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

  27961 2780 Pages:357-366

• Energy Deposition of Intense Femtosecond Laser Pulses in Ar Clusters

  Tong-Cheng Wu, Xi-Jun Qiu

  2013-04-01

  28168 2802 Pages:245-250

• 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

  28111 3025 Pages:49-58