Applied Theoretical Organic Chemistry by Tantillo, Dean J ,pdf book , free download
About the Editor
Dean Tantillo applies the tools of theoretical chemistry to problems
in mechanistic bioorganic chemistry, chemical biology, organic and
organometallic reactions of synthetic relevance, and natural products
biosynthesis and structure elucidation. He is also working to help
make Applied Theoretical Chemistry research accessible to blind and
visually impaired students.
Dean received an A.B. degree in Chemistry in 1995 from Harvard
University and a Ph.D. in 2000 from UCLA. After receiving his
Ph.D., he moved to Cornell University, where he carried out post-
doctoral research. He joined the faculty at UC Davis in 2003, where
he is now a Professor of Chemistry.
Contents:
Chapter 1. Modeling Organic Reactions —General Approaches, Caveats, and Concerns
Stephanie R. Hare, Brandi M. Hudson and Dean J. Tantillo
Chapter 2. Overview of Computational Methods for Organic Chemists
Edyta M. Greer and Kitae Kwon
Chapter 3. Brief History of Applied Theoretical Organic Chemistry
Steven M. Bachrach
Chapter 4. Solvation
Carlos Silva L ́opez and Olalla Nieto Faza
Chapter 5. Conformational Searching for Complex, Flexible Molecules 1
Alexander C. Brueckner, O. Maduka Ogba, Kevin M. Snyder, H. Camille Richardson and Paul Ha-Yeon Cheong
Chapter 6. NMR Prediction 1
Kelvin E. Jackson and Robert S. Paton
Chapter 7. Energy Decomposition Analysis and Related Methods
Israel Fern ́andez
Chapter 8. Systems with Extensive Delocalization
L. Zoppi and K. K. Baldridge
Chapter 9. Modern Treatments of Aromaticity
Judy I-Chia Wu
Chapter 10. Weak Intermolecular Interactions 2
Rajat Maji and Steven E. Wheeler
Chapter 11. Predicting Reaction Pathways from Reactants
Romain Ramozzi, W. M. C. Sameera
and Keiji Morokuma
Chapter 12. Unusual Potential Energy Surfaces and Nonstatistical Dynamic Effects
Charles Doubleday
Chapter 13. The Distortion/Interaction Model for Analysis of Activation Energies of Organic Reactions
K. N. Houk, Fang Liu, Yun-Fang Yang and Xin Hong
Chapter 14. Spreadsheet-Based Computational Predictions of Isotope Effects
O. Maduka Ogba, John D. Thoburn and Daniel J. O’Leary
Chapter 15. Stereoelectronic Effects: Analysis by Computational and Theoretical Methods
Gabriel dos Passos Gomes and Igor Alabugin
Chapter 16. pKa Prediction
Yijie Niu and Jeehiun K. Lee
Chapter 17. Issues Particular to Organometallic Reactions
Gang Lu, Huiling Shao, Humair Omer and Peng Liu
Chapter 18. Computationally Modeling Nonadiabatic Dynamics and Surface Crossings in Organic Photoreactions
Arthur Winter
Chapter 19. Challenges in Predicting Stereoselectivity
Elizabeth H. Krenske
About the book:
Categories: Chemistry - Organic Chemistry
Year: 2018
Publisher: World Scientific
Language: English
Pages: 620
File: PDF, 31.47 MB
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