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Yinghong Sheng, Ph.D. Department
of Chemistry & Mathematics College
of Arts & Sciences Florida
Gulf Coast University 10501
FGCU Blvd. South Fort
Myers, FL 33965 Tel: 239-590-7636 E-mail: ysheng@fgcu.edu
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An exciting and challenging aspect of computational chemistry is to develop inter-disciplinary projects that integrate state-of-the-art computational chemistry methods with biological, environmental, and material sciences.
My research experience includes study of (1) the structure-property relationships of nonlinear optical (NLO) materials and aromatic systems; (2) the reaction mechanisms of organic chemical reactions, homogeneous catalytic polymerization, cycloisomerization, dihydroxylation of olefins; (3) the molecular structures and the nature of interactions in weakly interacting systems; (4) photochromism.
Computational Chemistry is a versatile and economical tool for different applications. It provides valuable data regarding the structure and interaction of molecules in different systems. The facility requirement for conducting computational studies is less demanding than setting up an experimental lab.
You can do your experiments on a PC cluster, or even on a single PC. It provides undergraduate or graduate students a platform to learn the fundamental computational methods and skills.

I.
Articles published Since 2001
(1)
Heather D. Bean, Yinghong
Sheng, James P. Collins, Jerzy Leszczynski, and Nicholas V. Hud “Formation of a β-Pyrimidine Nucleoside by a Free
Pyrimidine Base and Ribose in a Plausible Prebiotic Reaction”, J. Am. Chem.
Soc. Communications. 2007, 129,
9556.


(2)
Yinghong Sheng,
Jerzy Leszczynski, Thuc-Quyen Nguyen, Anu Bamgbelu “Theoretical Study on the
Structure and Property Relationship of the Cationic Conjugated
Polyelectrolytes”, Structural Chemistry,
2007, in press.


(3)
Shuguang Wang, Yinghong Sheng, Manliang Feng, Lei
Wang,
(4)
Yinghong Sheng,
Jerzy Leszczynski “Theoretical Study of the Regioselectivity of the
Cycloaddition Reaction between Cyclopentadiene and Methyleneketene”, Tetrahedron, 2006, 62(29), 7014.
(5)
Yinghong Sheng,
Szczepan Roszak, and Jerzy Leszczynski, “The Molecular Structures and Nature of
Interactions in N2H+-Hen (n = 1
- 12) Complexes”, Mol. Phys. 2005, 103, 1091.
(6)
Zhe Quan; Yaru Song; Andrea Saulsberry; Yinghong Sheng; Yi-Ming Liu. “Capillary
Electrophoresis for Diastereomers of (R,S)-Tetrahydroisoquinoline-3-Carboxylic
Acid Derivatized with
(R)-4-Nitro-7-(3-Aminopyrrolidin-1-yl)-2,1,3-Benzoxadiazole: Effect of
Molecular Geometries.” Journal of
Chromatographic Science, 2005, 43(3), 121-125.
(7)
Zhe Quan, Yaru
Song, Gladys Peters, Ming Shengwu, Yinghong
Sheng, Huey-Min Hwang, and Yi-Ming Liu, “Chiral CE Separation of Dopamine
Derived Neurotoxins”, Analytical
Sciences, 2005, 21(2),
115-9.
(8)
Yinghong Sheng,
Szczepan Roszak, and Jerzy Leszczynski, “Microsolvation of N2H+:
The nature of interactions in N2H+-(H2)n
(n = 1 - 14) complexes”, J. Chem. Phys., 2004, 120, 4324.

(9)
Yinghong Sheng, Yun-Dong Wu,

(10) Yinghong
Sheng, Jerzy A. Leszczynski, Antonio
A. Garcia, Rohit Rosario, Devens Gust, Joseph Springer, “Comprehensive
Theoretical Study of the Conversion Reactions of Spiropyrans: Substituent and
Solvent Effects”, J. Phys. Chem. B, 2004,
108, 16233.
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(11) Yinghong
Sheng and Jerzy Leszczynski, “Theoretical Study of the Substituent and
Solvent Effects on the Molecular Structures, Absorption and Emission Spectra of
Spiropyrans” Collection of Czechoslovak Chemical Communications, 2004, 69, 47.
(12) Yinghong
Sheng, Ramaiyer Venkatraman, Józef S. Kwiatkowski, Joanna
Majewska and Jerzy Leszczynski, “A DFT and MP2 Study on the
Molecular Structure, Vibrational Raman and Infrared Spectra of
Halogenosubstituted Phosphoryl and Thiophosphoryl Compounds”, Structural Chemistry, 2003, 20, 511.
(13) Yinghong
Sheng and Jerzy Leszczynski, “A
Comprehensive Computational Study on OCH+-Rg (Rg = He, Ne, Ar, Kr,
Xe ) Complexes”, Collection
of Czechoslovak Chemical Communications, 2003, 68, 489.
(14)
Yinghong Sheng, Djamaladdin G. Musaev, Frank, E.
McDonald and Keiji Morokuma, “Computational Studies of
Tungsten-Catalyzed endo-Selective Cycloisomerization of 4-Pentyn-1-ol”, J. Am. Chem.
Soc., 2002,
124, 4149.

(15) Yinghong Sheng, Robert W. Gora, Malgorzata Kaczorowska, Szczepan Roszak,and Jerzy Leszczynski, “The molecular structures, energetics, and nature of interactions in Arn-N2H+ (n=1-12) complexe”, J. Phys. Chem., 2002, 106, 11162.
(16) Yinghong Sheng and Jerzy Leszczynski, “Molecular Structures and
Properties of N2H+-X (X=He, Ne, Ar, Kr, Xe and H2)
Complexes”, J.
Phys. Chem., 2002, 106,
12095.
(17) Ying-Hong Sheng, Yun-Dong Wu, "Theoretical Studies
on Acetylene Addition to Molybdenum Alkylidenes: The preference of a-and badditions",
J. Am. Chem. Soc., 2001, 123, 6662.
II.
Conference Presentations
(1)
Yinghong Sheng, Jerzy
Leszczynski, “Theoretical Study of the Photochemistry of Spiropyrans” 6th Southern School on Computational Chemistry, pp99, Jackson, Mississippi, April 7-8, 2006.
(2)
Floyd A. Fayton Jr.†, Yinghong Sheng, Jerzy Leszczynski,
“Computational study on the mechanism of the cycloadition reaction between
methyleneketene and cyclopetadiene” The Computational Center for Molecular
Structure and Interactions (CCMSI) Summer Institute, Jackson, MS, June 5 – July
30, 2005. († Floyd A. Fayton Jr. won the Third Place Prize of the Student Presentation.)
(3)
Jason Ford-Green‡, Ayourinde Hassan, Yinghong Sheng, “DFT Study on the Reaction
Mechanism of the 1,3-Dipolar Cycloaddition between Ethane and Nitrile Oxide”, 13th International Conference on
Current Trends in Computational Chemistry, pp53, Jackson, Mississippi,
November 12-13, 2004. (‡ Jason Ford-Green won the First Place
Prize of the Best Student Poster.)
(4)
Jason Ford-Green, Ayourinde Hassan, Yinghong Sheng, “DFT Study on 1,3-Dipolar
Cycloaddition between Ethane and Nitrile Oxide”, 2004
Annual Biomedical Research Conference for Minority Students (ABRCMS), G35, Dallas, Texas, November 10 -
13, 2004.
(5)
Jason Ford-Green, Ayourinde Hassan, Yinghong Sheng, “DFT Study on 1,3-Dipolar
Cycloaddition between Ethane and Nitrile Oxide”, Computational Center for Molecular Structure and Interactions 2004
Summer Institute, pp6, Biloxi, Mississippi, July 29, 2004.
(6)
Yinghong Sheng, Ray
Butcher, Haijun Jiao, Bakhtiyor Rasulev, Jiande Gu, Jerome Karle, and Jerzy
Leszczynski, “Novel Aromatic 7,8-Diazapentalenes” 4th Southern School
on Computational Chemistry, pp105, Orange Beach,
Alabama, March 26-27, 2004.