Applied Theoretical Organic Chemistry
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9781786344083, 9781786344090
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Spreadsheet-Based Computational Predictions of Isotope Effects

2018 ◽  
pp. 403-450
Author(s):  
O. Maduka Ogba ◽  
John D. Thoburn ◽  
Daniel J. O’Leary
Keyword(s):  
Isotope Effects ◽  
Computational Predictions

Conformational Searching for Complex, Flexible Molecules

2018 ◽  
pp. 147-164 ◽  
Author(s):  
Alexander C. Brueckner ◽  
O. Maduka Ogba ◽  
Kevin M. Snyder ◽  
H. Camille Richardson ◽  
Paul Ha-Yeon Cheong
Keyword(s):  
Flexible Molecules ◽  
Conformational Searching

NMR Prediction

2018 ◽  
pp. 165-189 ◽  
Author(s):  
Kelvin E. Jackson ◽  
Robert S. Paton
Keyword(s):  
Nmr Prediction

Issues Particular to Organometallic Reactions

2018 ◽  
pp. 519-539
Author(s):  
Gang Lu ◽  
Huiling Shao ◽  
Humair Omer ◽  
Peng Liu
Keyword(s):  
Organometallic Reactions

Modeling Organic Reactions — General Approaches, Caveats, and Concerns

2018 ◽  
pp. 1-29 ◽  
Author(s):  
Stephanie R. Hare ◽  
Brandi M. Hudson ◽  
Dean J. Tantillo
Keyword(s):  
Organic Reactions
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