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The top documents tagged [density functional methods]
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density functional methods
Slide 1 Chapter 9 Ab Initio and Density Functional Methods.
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Computational Organic Chemistry
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substituent effect on N-H bond dissociation of carbamates
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Calculation of Molecular Properties: How, What and Why? Dr. Vasile Chiş, Faculty of Physics, Babeş-Bolyai University, Cluj-Napoca Dr. Vasile Chiş Biomedical.
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We are grateful for generous support from the National Science Foundation (CHE-0910826). Introduction and History Polar Cycloaddition Reactions References.
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