苏培峰

最新更新日期:2013-7-23 14:25:47     浏览次数:6636次     

厦门大学卢嘉锡楼228室

电话: 0592-2180413

email: supi@xmu.edu.cn

更新个人信息
个人简历:
厦门大学理学学士(2001年6月);
厦门大学理学博士(2007年12月);
美国明尼苏达大学化学系访问学者(2006年11月-2007年1月)
美国内布拉斯加大学化学系博士后(2008年2月-2009年10月)
研究兴趣:
1. 从头算价键方法发展与应用 2. 分子间相互作用方法发展与应用
近期主要代表论著:

Published

1.    Su, P. and W. Wu. "Ab initio nonorthogonal valence bond methods." Wiley Interdisciplinary Reviews: Computational Molecular Science, 2013, 3(1): 56-68.

2.    Ying, F., P. Su, Z. Chen, S. Shaik and W. Wu. "DFVB: A Density-Functional-Based Valence Bond Method." Journal of Chemical Theory and Computation 2012, 8(5): 1608-1615.

3.    Ying, F., X. Chang, P. Su and W. Wu. "VBEFP: A Valence Bond Approach That Incorporates Effective Fragment Potential Method." The Journal of Physical Chemistry A 2012, 116(7): 1846-1853.

4.    Su, P. and W. Wu. "Ab Initio Computational Method for Classical Valence Bond Theory." Progress in Chemistry 2012, 24(06).

5.    Su, P., H. Liu and W. Wu. "Free energy decomposition analysis of bonding and nonbonding interactions in solution." The Journal of Chemical Physics 2012, 137(3): 034111.

6.    Shaik, S., D. Danovich, W. Wu, P. Su, H. S. Rzepa and P. C. Hiberty. "Quadruple bonding in C2 and analogous eight-valence electron species." Nat Chem 2012, 4(3): 195-200.

7.    Wu, W., P. Su, S. Shaik and P. C. Hiberty. "Classical Valence Bond Approach by Modern Methods." Chemical Reviews, 2011, 111(11): 7557-7593.

8.    苏培峰,吴玮. 价键理论方法研究的进展与展望. 物理化学学科前沿与展望, 田中群等编,2011,科学出版社.

9.    Su, P., J. Wu, J. Gu, W. Wu, S. Shaik and P. C. Hiberty. "Bonding Conundrums in the C2 Molecule: A Valence Bond Study." Journal of Chemical Theory and Computation 2010, 7(1): 121-130.

10. Su, P. and H. Li. "Protonation of Type-1 Cu Bound Histidines: A Quantum Chemical Study." Inorganic Chemistry 2009, 49(2): 435-444.

11. Su, P. and H. Li. "Energy decomposition analysis of covalent bonds and intermolecular interactions." The Journal of Chemical Physics 2009, 131(1): 014102.

12. Su, P. and H. Li. "Continuous and smooth potential energy surface for conductorlike screening solvation model using fixed points with variable areas." The Journal of Chemical Physics 2009, 130(7): 074109.

13. Su, P., W. Wu, S. Shaik and P. C. Hiberty. "A Valence Bond Study of the Low-Lying States of the NF Molecule." ChemPhysChem 2008, 9(10): 1442-1452.

14. Su, P., W. Wu, C. P. Kelly, C. J. Cramer and D. G. Truhlar. "VBSM: A Solvation Model Based on Valence Bond Theory†." The Journal of Physical Chemistry A 2008, 112(50): 12761-12768.

15. Su, P., L. Song, W. Wu, S. Shaik and P. C. Hiberty. "Heterolytic Bond Dissociation in Water: Why Is It So Easy for C4H9Cl But Not for C3H9SiCl?" The Journal of Physical Chemistry A 2008, 112(13): 2988-2997.

16. Su, P., F. Ying, W. Wu, P. C. Hiberty and S. Shaik. "The Menshutkin Reaction in the Gas Phase and in Aqueous Solution: A Valence Bond Study." ChemPhysChem2007, 8(18): 2603-2614.

17. Su, P., L. Song, W. Wu, P. C. Hiberty and S. Shaik . "A valence bond study of the dioxygen molecule." Journal of Computational Chemistry 2007, 28(1): 185-197.

18. Su, P., L. Song, W. Wu, P. C. Hiberty and S. Shaik. "Valence Bond Calculations of Hydrogen Transfer Reactions:  A General Predictive Pattern Derived from Theory." Journal of the American Chemical Society 2004, 126(41): 13539-13549.

 

In Prepared

 

19. Su, P., H. Liu, Z. Jiang and W. Wu "A new definition for energy decomposition analysis scheme by various DFT functionals " The Journal of Chemical PhysicsIn Prepared.

 

学术交流情况

  1. International Conference on Theoretical and High Performance Computational Chemistry 2013(DaLian,21 - 25July 2013)Title: Energy Decomposition Analysis for Intermolecular Interactions, the LMOEDA and the further developments. Oral
  2. SICC-7 and APCE 2012 - 7th Singapore International Chemical Conference(SICC-7) and 12th Asia Pacific International Symposium on Capillary Electrophoresis and Microscale Separation and Analysis (Singapore,16 - 19 December 2012 ), Title: Energy Decomposition Analysis of Bonding and Nonbonding Interactions in Solution.Oral
  3. Seminar in Nanyang Technology University, invited by Prof. Hajime. Hirao. Title:Recent Progress of Energy Decomposition Analysis and ab initio VB Method. http://www.spms.ntu.edu.sg/CBC/Seminar/documents/2012/Seminar%20-%20Prof%20Peifeng%20Su.blue.pdf
  4. Workshop on ab initio Valence Bond theory(Paris, France, Jul. 15-24, 2012).Title: Introduction of XMVB calculations.Invited.
  5. 全国化学会第28届学术年会(成都, April, 13, 2012) Title: Energy Decomposition Analysis of Bonding and Nonbonding Interactions in Solution. 邀请
  6. 第六届国际量子化学分子模拟和生命科学研讨会(广州, Nov. 11, 2011) Title: Energy Decomposition Analysis of Bonding and Nonbonding Interactions in Solution. 邀请
  7. Ninth Triennial Congress of the WORLD ASSOCIATION OFTHEORETICAL ANDCOMPUTATIONAL CHEMISTSWATOC 2011. (Santiago de Compostela, Spain, July 17-22, 2011)Title:VB-EFP: A new QM/MM scheme based abinito valence bond theory. Oral
  8. 第11届全国量子化学会议(Hefei, May 27-30, 2011) Title: EDA-PCM方法发展与应用. 口头。
  9. 第四屆海峽兩岸理論化學與計算會議(金门, Jan. 10-14, 2011) Title: VB-EFP方法发展与应用。邀请
  10. 第五届国际理论化学、分子模拟和生命科学研讨会(南戴河, Aug. 7-10, 2010) Title: VBSM方法发展与应用。口头
  11. 中国化学会第27届学术年会 (Xiamen, Jun. 20-23, 2010) Title: Theoretical Research of Intermolecular Interactions and Solvated Molecular System. 口头
  12. 5th Worldwide Chinese Theoretical and Computational Chemistry Conference(Xiamen, Dec. 14-17, 2009) Title: Continuous and smooth potential energy surface for conductor-like screening solvation model using fixed points with variable areas. Oral.
  13. The 238th ACS National Meeting(Washington, DC, USA, August 16-20, 2009). Oral

 

 


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