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1. Full Text Aromatic Interactions as Control Elements in Stereoselective Organic Reactions
by Krenske, Elizabeth H and Houk, K. N
Accounts of chemical research, ISSN 0001-4842, 04/2013, Volume 46, Issue 4, pp. 979 - 989
Benzyl Alcohols - chemistry | Cyclization | Furans - chemistry | Stereoisomerism | Binding Sites | Oxazolidinones - chemistry | Research | Chemical properties | Stereochemistry | Aromatic compounds | Nuclear reactions | Quantum theory | Index Medicus | Stereoselectivity | Asymmetry | Accessibility | Quantum mechanics | Chemical reactions | Mathematical models | Hydrogenation
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2. Full Text Computational Enzyme Design
by Kiss, Gert and Çelebi‐Ölçüm, Nihan and Moretti, Rocco and Baker, David and Houk, K. N
Angewandte Chemie (International ed.), ISSN 1433-7851, 05/2013, Volume 52, Issue 22, pp. 5700 - 5725
biomolecular catalysis | protein engineering | active‐site design | non‐natural reactions | theozymes | active-site design | non-natural reactions | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Enzymes - chemistry | Models, Molecular | Protein Engineering - methods | Computational Biology | Antibodies, Catalytic - chemistry | Enzymes | Design | Index Medicus | Proteins | Binding | Computational chemistry | Computation | Evolution | Biology | Catalysis
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3. Full Text Holy Grails for Computational Organic Chemistry and Biochemistry
by Houk, K. N and Liu, Fang
Accounts of chemical research, ISSN 0001-4842, 03/2017, Volume 50, Issue 3, pp. 539 - 543
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology
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4. Full Text Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules
by Takano, Yu and Houk, K. N
Journal of chemical theory and computation, ISSN 1549-9618, 01/2005, Volume 1, Issue 1, pp. 70 - 77
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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5. Full Text Bioorthogonal Cycloadditions: Computational Analysis with the Distortion/Interaction Model and Predictions of Reactivities
by Liu, Fang and Liang, Yong and Houk, K. N
Accounts of chemical research, ISSN 0001-4842, 09/2017, Volume 50, Issue 9, pp. 2297 - 2308
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Cyclopropanes - chemistry | Models, Chemical | Cycloaddition Reaction | Computer Simulation | Index Medicus
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6. Full Text Conversion of amides to esters by the nickel-catalysed activation of amide C-N bonds
by Hie, Liana and Fine Nathel, Noah F and Shah, Tejas K and Baker, Emma L and Hong, Xin and Yang, Yun-Fang and Liu, Peng and Houk, K.N and Garg, Neil K
Nature (London), ISSN 0028-0836, 08/2015, Volume 524, Issue 7563, pp. 79 - 83
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Thermodynamics | Nickel - chemistry | Nitrogen - chemistry | Amides - chemistry | Benzoates - chemical synthesis | Catalysis | Carbon - chemistry | Esters - chemical synthesis | Alcohols | Benzamides - chemistry | Chemistry Techniques, Synthetic - methods | Density functionals | Amides | Nickel | Chemical properties | Proteases | Analysis | Studies | Chemical bonds | Ligands | Nitrogen | Conversion | Carbon | Index Medicus
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7. Full Text Unconventional, Chemically Stable, and Soluble Two-Dimensional Angular Polycyclic Aromatic Hydrocarbons: From Molecular Design to Device Applications
by Zhang, Lei and Cao, Yang and Colella, Nicholas S and Liang, Yong and Brédas, Jean-Luc and Houk, K. N and Briseno, Alejandro L
Accounts of chemical research, ISSN 0001-4842, 03/2015, Volume 48, Issue 3, pp. 500 - 509
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Stability | Polycyclic aromatic hydrocarbons | Semiconductors | Semiconductor devices | Field effect transistors | Fullerenes | Derivatives | Devices
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8. Full Text Ligand-accelerated enantioselective methylene C(sp3)-H bond activation
by Chen, Gang and Gong, Wei and Zhuang, Zhe and Andrä, Michal S and Chen, Yan-Qiao and Hong, Xin and Yang, Yun-Fang and Liu, Tao and Houk, K.N and Yu, Jin-Quan
Science (American Association for the Advancement of Science), ISSN 0036-8075, 09/2016, Volume 353, Issue 6303, pp. 1023 - 1027
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Enantiomers | Chemical bonds | Ligands | Chemical properties | Observations | Methylene compounds | Asymmetry | Insertion | Activation | Palladium | Carbon | Bonding | Methylene
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9. Full Text Catalytic Asymmetric Intermolecular Stetter Reactions of Enolizable Aldehydes with Nitrostyrenes: Computational Study Provides Insight into the Success of the Catalyst
by DiRocco, Daniel A and Noey, Elizabeth L and Houk, K. N and Rovis, Tomislav
Angewandte Chemie (International ed.), ISSN 1433-7851, 03/2012, Volume 51, Issue 10, pp. 2391 - 2394
organocatalysis | fluorination | density functional calculations | N‐heterocyclic carbenes | Stetter reaction | N-heterocyclic carbenes | Alcohols - chemistry | Alkenes - chemistry | Styrenes - chemistry | Stereoisomerism | Computer Simulation | Molecular Structure | Catalysis | Aldehydes - chemistry | Asymmetry | Catalysts | Fluorine | Computation | Transformations | Aldehydes | Fluorination | Electrostatics | Index Medicus
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10. Full Text Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals
by Wheeler, Steven E and Houk, K. N
Journal of chemical theory and computation, ISSN 1549-9618, 02/2010, Volume 6, Issue 2, pp. 395 - 404
Quantum Electronic Structure | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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11. Full Text Computational prediction of small-molecule catalysts
by Cheong, Paul Ha-Yeon and Houk, K. N
Nature (London), ISSN 0028-0836, 09/2008, Volume 455, Issue 7211, pp. 309 - 313
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | History, 21st Century | Computer Simulation | History, 20th Century | Computational Biology - history | Drug Design | Molecular Structure | Catalysis | Kinetics | Chemistry - history | Chemistry - methods | Design | Studies | Integrated circuits | Molecules | Accuracy | Research & development--R&D | Chemicals | Index Medicus
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