Density Functional Theory and Semi-empirical Investigations of Amino Tetrahydrofuran Molecules

Hussein Neama Najeeb^1,

¹Babylon University- Collage of Science for Women -Laser Dep

Cite this paper:
Hussein Neama Najeeb. Density Functional Theory and Semi-empirical Investigations of Amino Tetrahydrofuran Molecules. Physics and Materials Chemistry. 2013; 1(2):21-26. doi: 10.12691/pmc-1-2-3

Abstract

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Keywords:
tetrahydrofuran molecules density functional theory semi-empirical investigations

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References:

[1]	H. Dorsett, and A. White, Overview of Molecular and Ab initio Molecular Orbital Methods Suitable for Use with Energetic Materials, Aeronautical and Maritime Research Laboratory, Australia, 2000.
[2]	Johannes Grotenders, High Performance Computing in Chemistry, John von Neumann Institute for Computing, Jülch, NIC Series, Vol.25, 2005.
[3]	Michael Mueller, Fundamentals of Quantum Chemistry, Molecular Spectroscopy and Modern Electronic Structure Computations, Rose Hullman Institute of Technology, Terre Haute, Indiana, 2002.
[4]	David C. Young, "Computational Chemistry: A Particle Guide for Applying Techniques to Real - World Problems", John Wiley & Sons, INC., 2001.
[5]	"Ethers, Lawrence Karas and W. J. Piel". KirkOthmer Encyclopedia of Chemical Technology. John Wiley & Sons, Inc. 2004.
[6]	Herbert Müller, Tetrahydrofuran in Ullmann's Encyclopedia of Industrial Chemistry 2002, Wiley-VCH, Weinheim.
[7]	Morrison, Robert Thornton; Boyd, Robert Neilson: Organic Chemistry, 2nd ed., Allyn and Bacon 1972, p. 569.
[8]	Donald Starr and R. M. Hixon (1943), Tetrahydrofuran, Org. Synth.; Coll. Vol. 2: 566
[9]	Polyethers, Tetrahydrofuran and Oxetane Polymers by Gerfried Pruckmayr, P. Dreyfuss, M. P. Dreyfuss. KirkOthmer Encyclopedia of Chemical Technology. John Wiley & Sons, Inc. 1996.
[10]	Jonathan Swanston Thiophene in Ullmann’s Encyclopedia of Industrial Chemistry Wiley-VCH, Weinheim, 2006.
[11]	"Chemical Reactivity". Cem.msu.edu. Retrieved 2010-02-15.
[12]	"FileAve.com". Gashydrate.fileave.com. Retrieved 2010-02-15.
[13]	Elschenbroich, C.; Salzer, A. ”Organometallics: A Concise Introduction” (2nd Ed) (1992) Wiley-VCH: Weinheim.
[14]	E.g., B.L. Lucht, D.B. Collum "Lithium Hexamethyldisilazide: A View of Lithium Ion Solvation through a Glass-Bottom Boat" Accounts of Chemical Research, 1999, volume 32, 1035-1042.
[15]	Williams, D. B. G., Lawton, M., "Drying of Organic Solvents: Quantitative Evaluation of the Efficiency of Several Desiccants", The Journal of Organic Chemistry 2010, vol. 75, 8351.
[16]	Ali A. M., "Investigations of some antioxidant materials by using density functional and semiempirical theories", Department of Physics, University of Basrah, College of Science, (2009).
[17]	Ghoch D. C. and Bhattacharyy S., " Molecular orbital and density functional study of the formation, charge transfer, bonding and the conformational isomerism of the boron trifluoride (BF3) and ammonia (NH3) donor-accebtor complex", Department of Chemistry, University of Kalyami, India, (2004).
[18]	Kampen T. U., Mendes H. and Zahn D. R., "Energy level alignment at molecular semiconductor/ GaAs(100) interfaces", Department of physic, University of Technische, Germany, (1999).