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1. Full Text Analyzing reaction rates with the distortion/interaction-activation strain model
by Bickelhaupt, F.M and Houk, K.N
Angewandte Chemie (International ed.), ISSN 1433-7851, 2017, Volume 56, Issue 34, pp. 10070 - 10086
chemical reactivity | quantum chemistry | reaction mechanisms | transition states | computational chemistry | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Activation energy | Analysis | Distortion | Activation analysis | Reviews | Review
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2. Full Text The activation strain model and molecular orbital theory: Understanding and designing chemical reactions
by Fernandez, I and Bickelhaupt, F.M
Chemical Society reviews, ISSN 0306-0012, 2014, Volume 43, Issue 14, pp. 4953 - 4967
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Catalysts | Deformation mechanisms | Decomposition reactions | Tools | Activation | Mathematical models | Catalysis | Strain
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3. Full Text Origin of the "Endo Rule" in Diels-Alder reactions
by Fernandez, I and Bickelhaupt, F.M
Journal of computational chemistry, ISSN 0192-8651, 2014, Issue 35, pp. 371 - 376
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4. Full Text The activation strain model and molecular orbital theory
by Wolters, L.P and Bickelhaupt, F.M
Wiley interdisciplinary reviews. Computational molecular science, ISSN 1759-0876, 2015, Volume 5, Issue 4, pp. 324 - 343
Physical Sciences | Chemistry | Life Sciences & Biomedicine | Chemistry, Multidisciplinary | Science & Technology | Mathematical & Computational Biology | Methodology | Energy | Molecular structure | Barriers | Molecular orbitals | Activation | Interactions | Rigidity | Reaction mechanisms | Framework | Strain | Advanced Review
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5. Full Text Nucleophilicity and leaving-group ability in frontside and backside S(N)2 reactions
by Bento, A.P and Bickelhaupt, F.M
Journal of organic chemistry, ISSN 0022-3263, 2008, Volume 73, Issue 18, pp. 7290 - 9
Physical Sciences | Chemistry | Chemistry, Organic | Science & Technology
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6. Full Text Role of Steric Attraction and Bite-Angle Flexibility in Metal-Mediated C–H Bond Activation
by Wolters, Lando P and Koekkoek, Rick and Bickelhaupt, F. Matthias
ACS catalysis, ISSN 2155-5435, 10/2015, Volume 5, Issue 10, pp. 5766 - 5775
density functional calculations | transition metal complexes | bite angles | catalysis | dispersion | oxidative addition | activation strain model | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology
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7. Full Text Origin of the "endo rule" in diels-alder reactions
by Fernandez, I and Bickelhaupt, F.M
Journal of computational chemistry, ISSN 0192-8651, 2014, Volume 35, Issue 5, pp. 371 - 376
Alder reaction | reactivity | cycloaddition | Diels | endo rule | density functional theory calculations | activation strain model | Cyclopentadiene | Specific gravity | Analysis | Butadiene | Maleic anhydride | Hydrocarbons | Theory | Density | Strain
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8. Full Text Role of Orbital Interactions and Activation Strain (Distortion Energies) on Reactivities in the Normal and Inverse Electron-Demand Cycloadditions of Strained and Unstrained Cycloalkenes
by Levandowski, Brian J and Hamlin, Trevor A and Bickelhaupt, F. Matthias and Houk, K. N
Journal of organic chemistry, ISSN 0022-3263, 08/2017, Volume 82, Issue 16, pp. 8668 - 8675
Physical Sciences | Chemistry | Chemistry, Organic | Science & Technology
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9. Full Text Alder-Ene Reaction: Aromaticity and Activation Strain Analysis
by Fernandez, I and Bickelhaupt, F.M
Journal of computational chemistry, ISSN 0192-8651, 2012, Volume 33, Issue 5, pp. 509 - 516
density functional calculations | reactivity | Alder‐ene reaction | activation strain model | aromaticity | Alder-ene reaction | Atoms & subatomic particles | Chemical bonds | Chemical reactions | Correlation analysis
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