关威

东北师范大学化学学院


职　　称：副教授
研究方向：应用量子化学
办公电话：
办公地点：
电子邮件：guanw580@nenu.edu.cn



个人简历


社会兼职
获奖情况 （数据来源：科学技术处、社会科学处）
2010-12-30 吉林省科学技术进步奖二等奖

教学信息 （数据来源：教务处）



物理化学实验（II）

科研信息 （数据来源：科学技术处、社会科学处）



项目：1. Keggin型磷钨杂多酸化合物的构筑基元结构变化规律及形成机理，教育部，2011年2. Keggin型多酸化合物的构筑基元结构变化规律及形成机理，吉林省科技厅，2010年3. 多酸基无机-有机杂化材料电子性质的理论研究，校内自然科学青年基金，2010年专著：1. 量子化学计算方法在多酸化学中的应用，东北师范大学出版社，2011年论文：1. Theoretical mechanistic study of novel Ni(0)-catalyzed [6-2+2] cycloaddition reactions of isatoic anhydrides with alkynes: origin of facile decarboxylation，ORGANOMETALLICS，2013年2. DFT characterization on the mechanism of water splitting catalyzed by single-Ru-substituted polyoxometalates，DALTON T，2013年3. Theoretical insights into [PMo12O40]3- grafted on single-walled carbon nanotubes，PHYS CHEM CHEM PHYS，2013年4. Interest in new heterodinuclear transition-metal/main-group-metal complexes: DFT study of electronic structure and mechanism of fluoride sensing function，DALTON T，2013年5. Three competitive transition states at the glycosidic bond of sucrose in its acid-catalyzed hydrolysis，J ORG CHEM，2013年6. Presence or absence of a novel charge-transfer complex in the base-catalyzed hydrolysis of N-ethylbenzamide or ethyl benzoate，BEILSTEIN J ORG CHEM，2013年7. Theoretical Studies on the Photoisomerization-Switchable Second-Order Nonlinear Optical Responses of DTE-Linked Polyoxometalate Derivatives，J MOL GRAPH MODEL，2013年8. Building Blocks and Formation Thermodynamics of α-Keggin-Type [PW12O40]3- Anion，Computational and Theoretical Chemistry，2012年9. The self-assembly mechanism of the Lindqvist anion [W6O19]2? in aqueous solution: a density functional theory study，DALTON T，2012年10. TDDFT studies on chiral organophosphonate substituted divacant Keggin-type polyoxotungstate: diplex multistep-redox-triggered chiroptical and NLO switch，DALTON T，2012年11. First principle investigation of transport properties of Lindqvist derivatives based molecular junction，J MOL GRAPH MODEL，2012年12. How is the anionic tetrahedral intermediate involved in the isomerization of aspartyl peptides to iso-aspartyl ones? A DFT study on the tetra-peptide，ORG BIOMOL CHEM，2012年13. Lindqvist型钼酸盐修饰的碳纳米管二阶非线性光学性质的理论研究，CHEM J CHINESE U，2012年14. TDDFT studies on the structures and ECD spectra of chiral bisarylimidos bearing different lengths of o-alkoxy chain-substituted polyoxomolybdates，J MOL GRAPH MODEL，2012年15. Theoretical investigation on electronic structure and second-order nonlinear optical properties of novel hexamolybdate-organoimido-(car)borane hybrid，PHYS CHEM CHEM PHYS，2012年16. Electronic properties and stabilities of methoxy-substituted Lindqvist polyoxometalates [Nb2W4O19CH3]3? by DFT，CHINESE SCI BULL，2012年17. DFT study of ionic peapod structures from single-walled carbon nanotubes and Lindqvist tungstates，DALTON T，2012年18. The structure–property relationship of chiral 1,1'-binaphthyl-based polyoxometalates: TDDFT studies on the static first hyperpolarizabilities and the ECD spectra，J MOL GRAPH MODEL，2012年19. Theoretical investigation of structural and electronic propertyies of [PW12O40]3- on graphene layer，DALTON T，2012年20. Quantum chemical studies of Lindqvist-type polyoxometalates containing late 3d transition metals ([(py)MIIW5O18]4-(M = Fe,Co,Ni)): MII–N bonding and second-order nonlinear optical properties，THEOR CHEM ACC，2011年21. DFT studies on the electronic properties of organometallic-polyoxomolybdate anions [CpnMo6O19-n](2-n)- (n=1or2): Revealing bonding features of Cp*–Mo，Computational and Theoretical Chemistry，2011年22. Bonding Interactions between Nitrous Oxide (N2O) and Mono-Ruthenium Substituted Keggin-Type Polyoxometalates: Electronic Structures of Ruthenium/N2O Adducts，EUR J INORG CHEM，2011年23. Quantum chemical characterization of the generation of high-valent oxoruthenium species of Keggin type polyoxometalates: electronic structure and bonding features，DALTON T，2011年24. Inorganic-organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate，CRYSTENGCOMM，2010年25. Prediction of second-order optical nonlinearity of porphyrin-metal-polyoxometalate sandwich compounds，DALTON T，2010年26. A theoretical study on the efficient reversible redox-based switching of the second-order polarizabilities of two-dimensional nonlinear optical-active donor–acceptor phenanthroline-hexamolybdate，J MOL GRAPH MODEL，2010年27. Quantum Chemical Design for Enhanced Second-Order NLO Response of Terpyridine-Substituted Hexamolybdates，EUR J INORG CHEM，2010年28. Theoretical investigation of electronic properties and redox properties for purely inorganic and aryloxide substituted Ti-containing POM derivatives，MOL PHYS，2010年29. Length-Dependent Direction-Tunable Charge-Transfer Behavior of Second-Order Optical Nonlinearity in Keggin-Type Organosilicone Derivative [PW11O39(RSi)2O]3-: A TDDFT Study，J CLUST SCI，2010年30. Aspects of the Nonlinear Optical Properties as a Guide to Protonation Sites: A Theoretical Study upon α-Keggin [SiW12O40]4- and [SiV3W9O40]7-，CHEM LETT，2010年31. Prediction of robustly large molecular second-order nonlinear optical properties of terpyridine-substituted hexamolybdates: Structural modelling towards a rational entry to NLO materials，J MOL GRAPH MODEL，2010年32. Theoretical study on the tetranuclear endohedral vanadyl carboxylates withguest-switchable redox properties and large polarizability，DALTON T，2010年33. Tuning Second-Order Non-linear (NLO) Optical Response of Organoimido-Substituted Hexamolybdates through Halogens: Quantum Design of Novel Organic-Inorganic Hybrid NLO Materials，AUST J CHEM，2010年34. Theoretical study of the impact factor on redox property and second-order nonlinear response for organoimido derivatives of [Mo6O19]2-: Electron donors with magnitude of conjugated groups or length of conjugated chain，J MOL STRUC-THEOCHEM，2010年35. A Quantum Mechanical Study of the Second-Order Nonlinear Optical Properties of Aryldiazenido-Substituted Hexamolybdates: A Surprising Charge Transfer，EUR J INORG CHEM，2009年36. Second-Order Nonlinear Optical Properties of Transition-Metal-Trisubstituted Polyoxometalate-Diphosphate Complexes: A Donor-Conjugated Bridge-Acceptor Paradigm for Totally Inorganic Nonlinear Optical Materials，J PHYS CHEM C，2009年37. Second-Order Nonlinear Optical Properties of Trisubstituted Keggin and Wells-Dawson Polyoxometalates: Density Functional Theory Investigation of the Inorganic Donor-Conjugated Bridge-Acceptor Structure，INORG CHEM，2009年38. Theoretical studies on nitrido ruthenium (VI) porphyrin and high valent ruthenium nitrido derivatives of Keggin typical polyoxometalate ([PW11O39(RuVIN)]4): electronic structures and bonding features，DALTON T，2009年39. Redox-Switchable Second-Order Nonlinear Optical Responses of Push-Pull Monotetrathiafulvalene-Metalloporphyrins，INORG CHEM，2009年40. Quantum chemical study of redox-switchable second-order optical nonlinearity in Keggin-type organoimido derivative [PW11O39(ReNC6H5)]n-(n=2-4)，THEOR CHEM ACC，2009年41. Prediction of Remarkably Large Second-Order Nonlinear Optical Properties of Organoimido-Substituted Hexamolybdates，J PHYS CHEM A，2009年42. The comparative investigation on redox property and second-order nonlinear response of Keggin-type α-[PM12O39NPh]3-(M = W and Mo) and Mo6NPh，CHINESE SCI BULL，2009年43. Quantum Chemical Studies on High-Valent Metal Nitrido Derivatives of Keggin-Type Polyoxometalates ([PW11O39(MVIN)]4- (M = Ru, Os, Re)): M-VI-N Bonding and Electronic Structures，INORG CHEM，2009年44. Density functional study of magnetic exchange of dinuclear manganese complexes with the heteropolymolyanion: [MnII2(Xn+Mo9O33)2]2(n-10)- (X = PV, AsV, SeVI)，SCI CHINA SER B，2008年45. Theoretical study on a novel series of fullerene-containing organometallics Fe(η(5)-C55X5)(2) (X = CH, N, B) and their large third-order Nonlinear optical properties，J PHYS CHEM A，2008年46. Reversible redox-switchable second-order optical nonlinearity in polyoxometalate: A quantum chemical study of [PW11O39(ReN)]n- (n=3-7)，INORG CHEM，2008年47. Electronic structures of 4d transition metal monoxides by density functional theory，THEOR CHEM ACC，2007年48. Studies on the interactions of Ti-containing polyoxometalates (POMs) with SARS-CoV 3CLpro by molecular modeling，J INORG BIOCHEM，2007年49. Electronic structures of 5d transition metal monoxides by density functional theory，THEOR CHEM ACC，2007年50. A DFT Study on the Electronic and Redox Properties of [PW11O39(ReN)]n-(n = 3, 4, 5) and [PW11O39(OsN)]2-，EUR J INORG CHEM，2006年51. Theoretical study on the electronic spectrum and the origin of remarkably large third-order nonlinear optical properties of organoimide derivatives of hexamolybdates，J PHYS CHEM B，2006年52. How do the different defect structures and element substitutions affect the nonlinear optical properties of lacunary Keggin polyoxometalates? A DFT study，EUR J INORG CHEM，2006年53. Hyperpolarizabilities of para-nitroaniline and bis[4-(dimethylamino)phenyl] squaraine: The effects of functional/basis set based on TDDFT-SOS method，J MOL STRUC-THEOCHEM，2006年54. Prediction of second-order optical nonlinearity of trisorganotin-substituted β-Keggin polyoxotungstate，INORG CHEM，2006年55. Density functional study of protonation sites of α-Keggin isopolyanions，INT J QUANTUM CHEM，2006年56. Density Functional Theory Study on the First Hyperpolarizabilities of Organoimido Derivatives of Hexamolybdates，J PHYS CHEM B，2005年57. Electronic Properties and Stability of DititaniumⅣ Substituted α-Keggin Polyoxotungstate with Heteroatom Phosphorus by DFT，INORG CHEM，2005年58. 杂多阴离子[P2Mo5O23]6-的稳定结构和电子性质DFT比较研究，东北师大学报（自然科学版），2004年59. Why Does Disubstituted Hexamolybdate with Arylimido Prefer to Form an Orthogonal Derivative?Analysis of Stability,Bonding Character,and Electronic Properties on Molybdate Derivatives by Density Functional Theory (DFT) Study，J PHYS CHEM B，2004年60. Keggin型杂多阴离子α－[AlW9Mo3O40]5-电子性质的密度泛函理论研究，东北师大学报（自然科学版），2004年专利：一种铅离子比色检测探针及其应用方法 2012-07-04