【教授】郑绍辉
发布时间:2015-07-14 15:32:20     作者:liuzhaotun(转)    浏览次数: 次

  

 

 

姓  名:郑绍辉

职称职务:教授

联系电话:023-68252897

电子邮箱:shaohuizheng@swu.edu.cnjjkzhg@hotmail.com

办公地址:材料与能源学部22213

 

郑绍辉教授,硕士生导师,湖北丹江口市人。重庆直辖市特聘专家,重庆市“百名海外高层次人才集聚计划”入选者(201519956月在南开大学取得物理化学学士学位, 19957月至20007月在天津核工业部理化工程研究院担任助理工程师。20008月至20036月在南开大学中心实验室师从林少凡教授取得应用化学硕士学位。20038月到20093月在State University of New York at Buffalo取得物理化学博士学位(导师: Jochen Autschbach教授)。同年在加州大学伯克利分校(UC Berkeley)化学系作为博士后研究员和美国科学院院士William H. Miller教授合作从事LSC-IVR研究工作;20102月到20126月在美国密歇根大学(UM, Ann Arbor)作为研究员与Eitan GevaBarry Dunietz教授合作开展美国能源部新型太阳能材料研究工作;20126月到20156月在美国华盛顿大学(University of Washington)化学工程系作为研究员与Jim Pfaendnter教授为美国空军实验室开展喷气燃烧机理研究工作。20156月至今,受聘为西南大学材料与能源学部教授。

研究方向为有机硅和有机太阳能材料,燃烧机理,密度泛函,和相对论。作为第一作者或通讯作者,郑绍辉教授在国际重要学术期刊美国化学会杂志(JACS), 欧洲化学杂志(Chem. Eur. J.),化学材料(Chemical Materials),化学理论和计算杂志(JCTC),无机化学(Inorganic Chemistry),物理化学杂志A C(JPCA JPCC)等发表多篇文章。其研究工作受到高度评价,美国科学院院士,耶鲁大学杰出教授John C. Tully对郑教授的科研原创成果有如下评论:“Dr. Zheng has clearly established a new standard for understanding solvated electron charge transfer….Dr. Shaohui Zheng is an exceptional scientist with the ability, creativity, breadth and motivation to become a world-wide leader in theoretical chemistry.”在美国化学会杂志匿名审稿时,有如下评语“The work here is of very high quality. Indeed, the paper sets a new standard for computational chemistry of charge transfer excitations.”另外一篇于2011 年发表在Chemistry-A European Journal,也得到匿名审稿专家的高度赞扬:“The research is very important. The methodology is cutting-edge.” and “This paper is a technical "tour de force". All-in-all, this is a very good piece of work of major general interest, given the importance of NMR in chemistry.” 因为其工作的前沿性和实用性,荷兰Scientific Computing & Modeling (SCM) NV Corporation公司在其商业化软件Amsterdam Density Functional ADF)(这个软件在学术和工业界较流行)中,采用了郑教授的研究成果,并将之纳入ADF核磁共振模块。2014年发表的JPCC燃烧机理文章因为其前沿性和突破性进展,被学术网站cpmd.org(2001年由美国科学院院士Michele Parrinello,洛桑联邦理工大学-EPFL,和IBM公司联合建立)20148月至20153月挂为头条。

郑绍辉教授在中国和美国读书和工作其间,获得多个奖项。1998年获得中国核工业部三等奖,2001年在南开大学获得研究生二等奖学金,2006年获得美国纽约州研究生职业发展奖(The Graduate Student Employees Union Professional Development Award of the State of New York)。2007年获得纽约州立大学优秀TA奖(Mattern-Cgler Amara Reward)。2011年获得美国密西根大学(UM, Ann Arbor)颁发的大学理科教学证书(1:17的比例)。2013年获得美国普林斯顿大学(Princeton University)暑假燃烧动力学教程证书。他也受邀在Annu. Rep. NMR Spectrosc.Mol. Simulat.核磁共振和分子模拟期刊上发表关于密度泛函,相对论效应,和Metadynamics的评论和回顾文章。其中一篇关于核磁共振的综述文章在近五年引用高居第一。根据ISI Web of Science,郑绍辉教授的文章被南北美洲,亚洲,欧洲,非洲, 大洋州25个国家(包括美国,法国,英国,俄罗斯,中国,德国,印度等)科学家和国际重要期刊(JACS, PRL¸JPCL等)等多次引用。

郑绍辉教授也有丰富的中国和美国教学经验。他在美国带过以下博士研究生Kelly Fleming (University of Washington) Kayla Vanous (University of Washington)Heidi Philips (University of Michigan)和本科生Alexander Hyla(University of Michigan)Chenchen Song, (Tsinghua University, China)Francis Devine, (University of Michigan) Pavel Okun (University of Michigan),并指导他们发表了两篇文章(1 JPCA,1 JACS),并帮助Alexander Hyla顺利申请到美国工科顶级名校乔治亚理工学院(GIT)。

一、学习工作经历

1. 学历背景:

1991.8-1995.6 南开大学化学,理学学士

2000.8-2003.6 南开大学中心实验室,应用化学硕士

2003.8-2009.3 美国New YorkState University of New York at Buffalo理学博士

2. 国内国外研究经历:

1995.8-2000.7  中国天津核工业部理化工程研究院 助理工程师

2009.3-2010.2  美国加州大学伯克利分校(UC Berkeley)化学系,研究员 Research Associate

2010.2-2012.6 美国密西根大学安娜堡分校(UMAnn Arbor)化学系,研究员 (Research Fellow)

2012.7-2015.6 美国华盛顿大学(UW)化学工程系,研究员  (Research Fellow)

2015.6-现在    中国西南大学,材料与能源学部,教授

二、研究方向

(1) 有机硅和有机太阳能材料

(2) 燃烧机理研究

(3) 密度泛函理论和含时密度泛函

(4) 电子跃迁和环境效应

(5) 分子动力学模拟-包含经典和量子动力学

 三、主要研究成果

深入探索了有机太阳能材料中的电子迁移机理,第一次定量计算了环境效应对电子迁移激发态的影响, 对将来的新型太阳能材料设计具有重要意义。燃烧化学方面的创新在于联合基于第一性原理的分子动力学和图形理论(graph theory)第一次全面探索燃烧化学中所有可能的基元反应, 了解自由基的相互转化, 这些发现对于探索燃烧化学反应网络和机理具有重要的理论指导作用。密度泛函理论方面创新在于:第一次计算出分子轨道,原子轨道及其组合NBO(natural bond orbital)对核磁共振和核四极矩共振的贡献,从而第一次能定量解释定域和离域电子对核磁共振和核四极矩共振的影响。 

1. 代表性论文:

1.      Zheng, S. and Pfaendnter, J., A CPMD + Metadynamics Study of High Temperature Methanol Oxidation Reactions Using Generic Collective Variables.  J. Phys. Chem. C, 118 (20), 1076410770, 2014

This paper was highlighted by the website CPMD.org (08/2014-03/2015).

2.      Zheng, S. and Pfaendnter, J. (invited review article), Enhanced sampling of chemical and biochemical reactions with metadynamics.  Mol. Simulat., DOI: 10.1080/08927022.2014.923574, 2015.

3.      Zheng, S. and Geva, E. and Dunietz, B., “Solvated charge transfer states of functionalized anthracene and tetracyanoethylene: A computational study based on a range separated hybrid functional and charge constrained self-consistent field with switching Gaussian polarized continuum models”.  J. Chem. Theory Comput. 9 (2), 1125–1131, 2013.

4.      Zheng, S. and Philips, H. and Geva, E. and Dunietz, B.“An ab-initio study of the emissive charge-transfer states in solution phase chromophore-functionalized silsesquioxanes”.J. Am. Chem. Soc., 134 (16), 6944–6947, 2012.

5.      Zheng, S. and Autschbach, J.Modeling of heavy-atom–ligand NMR spin–spin coupling in solution: Molecular dynamicsstudy and natural bond orbital analysis of HgC coupling constants”.Chem. Eur. J., 17 (1), 161-173, 2011.

6.      Philips, H. and Zheng, S. and Hyla, A. and Geva, E. and Dunietz, B.“Ab-initio calculation of the electronic absorption of functionalized octahedral silsesquioxanesvia time-dependent density functional theory with range separated hybrid functionals”. J. Phys. Chem. A. 116 (4), 1137-1145, 2012.

7.      Autschbach, J. and Zheng, S. and Schurko, R. “Analysis of electric field gradient tensors at quadrupolarnuclei in common structural motifs”.Concep. Mag. Reson, A., 36A (2),84-126, 2010.

This paper is ranked NO.1 of citation from 2009 to 2015 inConcep. Mag. Reson, A.

8.      Autschbach, J. and Zheng, S. “Relativistic computations of NMR parameters from first principles theory and applications”.Annu. Rep. NMR Spectrosc., 67, 1-95, 2009.

This paper is ranked NO.1 of citation from 2008 to 2015 in Annu. NMR Spectrosc.

9.      Autschbach, J. and Zheng, S.“Analyzing Pt chemical shifts calculated from relativistic density functional theory using localized orbitals: The role of Pt lone pairs”.Magn. Reson. Chem. 46, S1, S45-S55, 2008.

2. 科研基金项目

1995-2000   中国核工业部科研基金  JF-01铀循环系统装置的研制  

     200万元       天津核工业理化工程研究院  项目负责人

2005-2009   美国自然科技基金项目CHE0447321   40万美元   

                            美国纽约州立大学布法罗分校化学系  项目执行人

2005-2009   美国自然科技基金项目CHE952253     40万美元

                          美国纽约州立大学布法罗分校化学系  项目执行人

2010-2012   美国能源部项目DE-SC0000957        100万美元 

                   美国密西根大学化学系 项目执行人

2012-2015   美国空军研究实验室项目FA9550-12-1-0133    80万美元

                           美国华盛顿大学化学工程系  项目执行人

2015-2019        中国西南大学人才引进基金    110           项目负责人

2016-2020           重庆市百人计划科研启动金    100          项目负责人       

四、主要荣誉

2016  重庆市市委组织部、市人力社保局联合授予重庆市特聘专家

2015  入选重庆市“百名海外高层次人才集聚计划”

2013   Certification of Combustion Summer Short-Course, Princeton University

2011   Certification of Completion Postdoctoral Short-Course on College Science TeachingUniversity of Michigan   

2007   Mattern-Cgler Amara Reward, University at Buffalo

2006   The Graduate Student Employees Union Professional Development Award of the State of New York

2001   南开大学二等奖学金

1997   中国核工业部科技进步三等奖

 

Resume 2016

Dr. Shaohui Zheng

Professor

Faculty of Materials and Energy

Southwest University, China   

Phone: 86-23-68252897

Email: shaohuizheng@swu.edu.cn, jjkzhg@hotmail.com

Professional Appointments

Professor, Faculty of Materials and Energy, Southwest University, China     2015-present

Ø  Theoretical modeling of organic and inorganic photovoltaic materials

Ø  Investigation of charge (electron) transfer and exciton dissociation process

Ø  Electronic and molecular dynamics simulation and coding

Ø  Automated discovery of reaction networks for combustion chemistry

Ø  Metadynamics in classical and quantum molecular dynamics

Ø  NMR and NQR

Research Associate, University of Washington, Seattle, WA                           2012–present

Ø  Mentor: Professor Jim Pfaendtner

Ø  Automated discovery of reaction networks for combustion chemistry

Ø  Metadynamics in classical and quantum molecular dynamics

Research Fellow, University of Michigan, Ann Arbor, MI                    2010–2012

Ø  Mentors: Professors Eitan Geva and Barry Dunietz

Ø  Theoretical modeling of organic and inorganic photovoltaic materials

Ø  Investigation of charge (electron) transfer and exciton dissociation process

Ø  Electronic and molecular dynamics simulation and coding

Research Associate, University of California, Berkeley, CA                              2009–2010

Ø  Mentor:  Professor William H. Miller

Ø  Semiclassical Initial Value Representation (SC-IVR) theory including linearized SC-IVR and its application to non-adiabatic electronic scattering system

Ø  LSC-IVR electronic and molecular dynamics simulation and coding

Engineer, Nuclear Physical & Chemical Research Institute of Engineering Industry

                  TianJin, China                                               1995–2000

 

Education

Ph.D. in Computational Chemistry, State University of New York at Buffalo, NY          2003 - 2009

Ø  Advisor: Professor Jochen Autschbach

Ø  Dissertation: Density functional calculation of nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) properties: Molecular dynamics and static solvent shell models with molecular orbital and natural bond orbital analysis.

Ø  Ab initio molecular dynamics to investigate the solvent effect, heavy metal and relativistic effects.

Ø  Molecular and Natural Bonding Orbital analysis of NQR module implementation in Amsterdam Density Functional software package.

M.S. in Computational Chemistry, Nankai University, Tianjin, China                               2000-2003

Ø  Dissertation: Modern chemical general software package development: modules’ design and structure of general platform.

Ø  Development of Chemical General Software package with C/C++ for Department of Education of China and provide often-used arithmetic Dynamic-Link Library (DLL) products.

B.S. in Physical Chemistry, Nankai University, Tianjin, China                                             1991-1995

Teaching Experiences

Mentor

Current Students

Yongping Tian, Master student (Southwest Univesity)                              2014

Mengyue Xiao, Master student (Southwest Univesity)                             2015

 

Former Students

Kelly Fleming, PhD candidate (University of Washington)                                                    2013

Kayla Vanous, PhD candidate (University of Washington)                                                    2013

Heidi Philips, PhD candidate (University of Michigan)                                                      2010-2012

Alexander Hyla, Undergraduate (University of Michigan)                                                 2010-2011

Chenchen Song, Undergraduate (Tsinghua University, China)                                               2011

Francis Devine, Undergraduate (University of Michigan)                                                  2010-2012

Pavel Okun, Undergraduate (University of Michigan)                                                            2012

Teaching Assistant, Department of Chemistry, University at Buffalo, USA                       2004-2008

Ø  Physical Chemistry, Physical Chemistry Laboratory, and Basic Quantum Theory

Ø  Developed and gave a series of lectures instructing the experimental process and computer calculations. Held office hours and graded homework. Helped to evaluate student presentations.

Graduate Assistant, Department of Chemistry, University at Buffalo, USA                       2003-2004

Ø  Physical Chemistry

Ø  Held office hours and graded homework. Helped to evaluate student presentations.

Teaching Assistant, Department of Chemistry, Nankai University, China                  2000-2003

Ø  Inorganic Chemistry, and Physical Chemistry Laboratory

Ø  Graded, designed laboratory experiments, and trained and gave lectures to freshmen.

 

Honors and Certifications

Scientific Consultant for Chongqing Municipal Government                                                2016

100 Talent Plan of Chongqing City                                                                                         2015

Certification of Combustion Summer Short-Course, Princeton University                          2013

Certification of Completion Postdoctoral Short-Course on College Science Teaching

University of Michigan                                                                                                                     2011

Mattern-Cgler Amara Reward, Department of Chemistry, University at Buffalo                 2007      

Ø  For exemplary teaching at the undergraduate level

The Graduate Student Employees Union Professional Development Award of the State of New York                                                                                                                                             2006

The Second-Class Scholarship, Nankai University                                                        2001

The Third-Class Prize, the Department of Nuclear Industry, China                                         1998

Ø  For the research of critical flowing quantity of metal liquid on the solid surface

 

Publications (Google Scholar citations: 414, H_index:12, and sum of impact factors: 64.0)

*: Co-first author; IF: Impact factor

     Papers and manuscripts

Published

1.        Zheng, S. and Pfaendnter, J., “A CPMD + Metadynamics Study of High Temperature Methanol Oxidation Reactions Using Generic Collective Variables”.  J. Phys. Chem. C(IF: 4.815), 118 (20), 10764–10770, 2014 (Citation: 1)

This paper is highlighted by the website CPMD.org (08/2014-now).

2.        Zheng, S. and Pfaendnter, J. (invited review article), “Enhanced sampling of chemical and biochemical reactions with metadynamics”.  Mol. Simulat. (IF:1.12), DOI: 10.1080/08927022.2014.923574, 2015.

3.        Zheng, S. and Geva, E. and Dunietz, B., “Solvated charge transfer states of functionalized anthracene and tetracyanoethylene: A computational study based on a range separated hybrid functional and charge constrained self-consistent field with switching Gaussian polarized continuum models”.  J. Chem. Theory Comput. 9 (2), 1125–1131 (IF: 5.389) 2013. (Citation: 7)

4.        Zheng, S. and Philips, H. and Geva, E. and Dunietz, B. “An ab-initio study of the emissive charge-transfer states in solution phase chromophore-functionalized silsesquioxanes”. J. Am. Chem. Soc., (IF: 10.677) 134 (16), 6944–6947, 2012. (Citation: 11)

5.        Philips, H. and Zheng, S.* and Hyla, A. and Geva, E. and Dunietz, B. “Ab-initio calculation of the electronic absorption of functionalized octahedral silsesquioxanes via time-dependent density functional theory with range separated hybrid functionals”. J. Phys. Chem. A. (IF: 2.95) 116 (4), 1137-1145, 2012. (Citation: 15)

6.        Zheng, S. and Autschbach, J.Modeling of heavy-atom–ligand NMR spin–spin coupling in solution: Molecular dynamics study and natural bond orbital analysis of HgC coupling constants”. Chem. Eur. J., (IF: 5.93) 17 (1), 161-173, 2011. (Citation: 20)

7.        Autschbach, J. and Zheng, S. and Schurko, R. “Analysis of electric field gradient tensors at quadrupolar nuclei in common structural motifs”.Concep. Mag. Reson, A., (IF: 1.67) 36A (2), 84-126, 2010. (Citation: 35)

This paper is ranked NO.1 of citation from 2009 to 2014 in Concep. Mag. Reson, A.

8.        Sutrisno, A. S. A. and Lo, A. Y. H. and Tang, J. A. and Dutton, J. L. and Ragogna, P. J. and Zheng, S. and Autschbach, J. and Schurko, R. W. “Experimental and theoretical investigations of selenium chemical shielding tensors in Se-N heterocycles”. Can. J. Chem., 87 (10), (IF: 1.42) 1546-1564, 2009. (Citation: 8)

9.        Autschbach, J. and Zheng, S. “Relativistic computations of NMR parameters from first principles theory and applications”. Annu. Rep. NMR Spectrosc., (IF: 1.67) 67, 1-95, 2009. (Citation: 62)

This paper is ranked NO.1 of citation from 2008 to 2014 in Annu. NMR Spectrosc.

10.    Rossini, A. J. and Mills, R. W. and Briscoe, G. A. and Norton, E. L. and Geier, S. J. and Hung, I.  Zheng, S. and Autschbach, J. and Schurko, R. W. “Solid-state chlorine NMR studies of early transition metal organometallic complexes”. J. Am. Chem. Soc.(IF: 10.677) 131 (9), 3317-3330, 2009. (Citation: 49)

11.    Autschbach, J. and Zheng, S.Analyzing Pt chemical shifts calculated from relativistic density functional theory using localized orbitals: The role of Pt lone pairs”. Magn. Reson. Chem., (IF: 1.44) 46, S1, S45-S55, 2008. (Citation: 34)

12.    Alam, T. M. and Clawson, J. S. and Bonhomme, F. and Thoma, S. G. and Zheng, S. and Autschbach, J. “Solid-state NMR, X-ray diffraction and ab Initio studies into the structure of novel tantalum oxyfluoride clusters”. Chem. Mater., (IF: 8.238) 20 (6), 2205–2217, 2008. (Citation: 18)

13.    Boshaala, A. M. A. and Simpson, S. J. and Autschbach, J. and Zheng, S. “Synthesis and characterisation of the trihalophosphine compounds of ruthenium [RuX2(6-cymene)(PY3)] (X = Cl, Br, Y = F, Cl, Br) and the related PF2(NMe2) and P(NMe2)3 compounds; Multinuclear NMR spectroscopy and the X-ray single crystal structures of [RuBr2(6-cymene)(PF3)], [RuBr2(6-cymene)(PF2{NMe2})], and [RuI2(6-cymene)(P{NMe2}3)]”. Inorg. Chem., (IF: 4.794) 47 (20), 9279-9292, 2008. (Citation: 8)

14.    Gerken, M. and Hazendonk, P. and Iuga, A. and Nieboer, J. and Tramsek, M. and Goreshnik, E. and Zemva, B. and Zheng, S. and Autschbach, J. “Solid-state NMR spectroscopic study of coordination compounds of XeF2 with metal cations and the crystal structure of [Ba(XeF2)5][AsF6]2”. Inorg. Chem., (IF: 4.794)   46 (15), 6069-6077, 2007. (Citation: 19)

15.    Autschbach, J. and Zheng, S. “Density functional computations of 99Ru chemical shifts: Relativistic effects, influence of the density functional, and study of solvent effects on fac-[Ru(CO)3I3]-”. Magn. Reson. Chem., (IF: 1.44) 44, 989-1007, 2006. (Citation: 15)

16.    Zhang, H, and Zheng, S. and Zhang, M. and Lin, S. “Application of the genetic self adapting modeling in the QSAR analysis”. Acta Sci. Nat. Univ. Nank. Aiensis, (IF: 0.37) 36 (4), 72-78, 2003. (Citation: 0)

17.    Zheng, S. and Chen, Y. “Application of encrypt arithmetic to Cheminf.net”. Comp. App. Chem., (IF: 0.59) 19 (4), 525-529, 2002. (Citation: 0)

18.    Chen, Y. and Zhang, M. and Zheng, S. “Video order program and living broadcasting for remote classroom”. Comp. App. Chem., (IF: 0.59) 19 (4), 489-493, 2002. (Citation: 2)

Submitted (Manuscripts available on request)

19.    Zheng, S. and Pfaendnter, J., “Location of transition state structures utilizing ab initio molecular dynamics, a set of generic reaction coordinates, and metadynamics”. Under review.

20.    Zheng, S. and Pfaendnter, J. “Exploring ignition and propagation of ethylene combustion and its mechanism using AIMD, MetaD and generic CVs”. Submitted, 2016.

 

Presentations

1.      Philips, H. and Zheng, S. and Geva, E. and Dunietz, B. “Predictive computational methods for charge transfer in organic optoelectronic materials”. The 246th American Chemical Society National Meeting, 2013

2.      Dunietz, B. and Zheng, S. and Philips, H. and Geva, E. “(1) Modeling emissive charge-transfer states in solution phase functionalized silsesquioxanes.(2) On symmetry hidden charge transfer states: Lessons for the design of functionals”. American Physics Society National Meeting, 2012.

3.      Zheng, S. and Philips, H. and Geva, E. and Dunietz, B., oral invited talk, “On solvated charge transfer study, OHSQ aggregations, and subPC-C60 solar cell”. Energy Frontier Research Center, University of Michigan, 2012

4.      Zheng, S. and Philips, H. and Geva, E. and Dunietz, B., oral contributing talk, “Is the silsesquioxane cage a scaffold or electron acceptor? A TDDFT study of electronic spectra of octa-silsesquioxane coupled with chromophores”. The 242nd American Chemical Society National Meeting in Denver, Colorado, 2011

5.      Zheng, S. and Philips, H. and Geva, E. and Dunietz, B., oral invited talk, “Molecular DFT/TDDFT study of photovoltaic materials: the nature of charge transfer processes”. Energy Frontier Research Center, University of Michigan, 2011

6.      Zheng, S. and Philips, H. and Geva, E. and Dunietz, B., poster presentation, “Electronic spectra of functionalized silsesquioxane: A DFT/TDDFT study”. Vaughan Symposium 2011, University of Michigan, 2011

7.      Zheng, S. and Philips, H. and Geva, E. and Dunietz, B., oral contributing talk, “Using tuned range-separated hybrid TDDFT to calculate electronic absorption spectra of functionalized octasilsesquioxanes”. The 2011 Midwest Theoretical Chemistry Conference, University of Norte Dame, 2011

8.      Zheng, S. and Philips, H. and Geva, E. and Dunietz, B., poster presentation, “On the nature of excited charge transfer states in functionalized silsesquioxanes”. Energy Frontier Research Center (EFRC) at Michigan annual meeting, University of Michigan, 2011

9.      Zheng, S. and Philips, H. and Geva, E. and Dunietz, B., poster presentation, “Electron transfer studies in functionalized silsesquioxane complexes using novel time-dependent density functionals”. Energy Frontier Research Center (EFRC) at Michigan annual meeting, University of Michigan, 2011

10.  Zheng, S. and Miller, W. H., poster presentation, "LSC-IVR of electronic nonadiabatic dynamics”. The Berkeley Mini Statistical Mechanics Meeting, University of California, Berkeley, 2010

11.  Zheng, S. and Autschbach, J., poster presentation, “A better understanding to NMR and NQR properties with natural bond orbital analysis”. The 26th Annual Graduate Student Symposium, University at Buffalo, 2008

12.  Zheng, S. and Autschbach, J., oral contributing talk, “Density functional calculation of NMR properties in heavy metal complexes”. The 25th Annual Graduate Student Symposium, University at Buffalo, 2007

 

Professional Services

Journal referee for Physical Chemistry Chemical Physics, RSC Advances, Journal of Molecular Modeling, Polycyclic Aromatic Compounds, Computational and Theoretical Chemistry/Journal of Molecular Structure, Acta Physico-Chimica Sinica, Chinese Journal of Catalysis, and SciencePaper Online.

 (资料第2次更新,于201633日,LZT