Bookmarks & Research Facilities


Some Books Recommended for Newbies of Theoretical and Computational Chemistry
  1. "AB initio Molecular Orbital Theory" By J. W. Hebre, L. Radom, P.v.R. Schleyer and J. A. Pople, New York: Wiley, 1986. (Available at the XMU Lib.)
  2. "Molecular Modelling -- Principles and Applications" By Andrew R. Leach, Addison Wesley Longman Limited 1996.(Available at the XMU Lib.)
  3. "Quantum Chemistry" By I.N. Levine, Allyn and Bacon, 1975 (Available at the XMU Lib.)
  4. 《物质结构》(第二版)， 徐光宪、王祥云，高等教育出版社(Available at the XMU Lib.)
  5. 《量子化学基本原理和从头计算法》(上、中)， 徐光宪、黎乐民，科学出版社(Available at the XMU Lib.)
  6. 《固体能带理论》， 谢希德、陆栋主编，复旦大学出版社(Available at the XMU Lib.)
  7. 《群论在化学中的应用》，F.A. Cotton著， 刘春万等译，科学出版社(Available at the XMU Lib.)

Local Sources
  1. "How to write a scientific paper--Advice from Prof. P. v. R. Schleyer" (ppt file)

Internet Bookmarks
  1. Computational Chemistry List(CCL)
  2. ChemWeb
  3. ChemConnect
  4. UncoverWeb --- Free Searching Services for Scientific References!
  5. The Chemical Societies Network
  6. Elsevier Science
  7. Royal Society of Chemistry and Its Publications
  8. American Chemical Society and Its Publications
  9. American Physical Society and Its Publications
  10. American Institute of Physics and Its Publications

Research Facilities

A. Group-owned Facilities:
  1. PowerLeader PC Cluster: ( 1 server + 5 computational nodes, each node have 8 cores, 32GB memory; Softwares-- G03, Material Studio, VASP; IP: 59.77.32.140; LJRS job quequeing system; Linux, SSH, FTP)
  2. Lenovo PC Cluster: ( 1 server + 23 computational nodes, each node have 4 cores, 4GB memory; Softwares-- G03, Material Studio; IP: 59.77.33.201; LJRS job quequeing system; Linux,SSH, SFTP)
  3. Lenovo PC-based workstations: ( 5 workstations, Softwares-- G03, Material Studio; Linux,SSH, SFTP)
B. Institutional Facilities:
  1. Lenovo PC Cluster owned by the college: ( 7 computational nodes assigned to our group, each node have 4 cores, 2GB memory; Softwares-- G03, Material Studio, VASP, ADF; Server IP: 59.77.33.146; Linux, SSH, SFTP; username: xinlu)
  2. SGI workstations owned by SKL: ( 4 workstations; Softwares-- G03, Material Studio, ADF; Intranet accessible only, IPs: 172.16.14.220-223; Linux,SSH, SFTP; username: xinlu)

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Updated on Aug. 12, 2009!