Kendall Houk
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American chemist
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Kendall Houkchemistry Degrees
Chemistry
#160
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#352
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#84
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Organic Chemistry
#16
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#28
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#7
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Chemistry
Why Is Kendall Houk Influential?
(Suggest an Edit or Addition)According to Wikipedia, Kendall Newcomb Houk is a Distinguished Research Professor in Organic Chemistry at the University of California, Los Angeles. His research group studies organic, organometallic, and biological reactions using the tools of computational chemistry. This work involves quantum mechanical calculations, often with density functional theory, and molecular dynamics, either quantum dynamics for small systems or force fields such as AMBER, for solution and protein simulations.
Kendall Houk's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Kemp elimination catalysts by computational enzyme design (2008) (1139)
- De Novo Computational Design of Retro-Aldol Enzymes (2008) (1011)
- Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules. (2005) (787)
- Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction (2010) (759)
- Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model (2017) (672)
- Distortion/interaction energy control of 1,3-dipolar cycloaddition reactivity. (2007) (650)
- Theory of 1,3-dipolar cycloadditions: distortion/interaction and frontier molecular orbital models. (2008) (616)
- Origin of reactivity, regioselectivity, and periselectivity in 1,3-dipolar cycloadditions (1973) (586)
- Oligoacenes: theoretical prediction of open-shell singlet diradical ground states. (2004) (546)
- A spin correction procedure for unrestricted Hartree-Fock and Møller-Plesset wavefunctions for singlet diradicals and polyradicals (1988) (539)
- Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics (2019) (488)
- Frontier molecular orbital theory of cycloaddition reactions (1975) (474)
- Free radical biology and medicine: it's a gas, man! (2006) (470)
- Frontier molecular orbitals of 1,3 dipoles and dipolarophiles (1973) (457)
- Conformations of cycloheptadecane. A comparison of methods for conformational searching (1990) (449)
- Quantum mechanical predictions of the stereoselectivities of proline-catalyzed asymmetric intermolecular aldol reactions. (2003) (433)
- Pericyclic Reaction Transition States: Passions and Punctilios, 1935-1995 (1995) (424)
- A hierarchy of homodesmotic reactions for thermochemistry. (2009) (416)
- Transition Structures of Hydrocarbon Pericyclic Reactions (1992) (408)
- Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes. (2003) (404)
- Quantum mechanical investigations of organocatalysis: mechanisms, reactivities, and selectivities. (2011) (402)
- Substituent effects in the benzene dimer are due to direct interactions of the substituents with the unsubstituted benzene. (2008) (386)
- Force-field model for intramolecular radical additions (1987) (382)
- Computational enzyme design. (2013) (379)
- Kinetic and stereochemical evidence for the involvement of only one proline molecule in the transition states of proline-catalyzed intra- and intermolecular aldol reactions. (2003) (378)
- Conversion of Amides to Esters by the Nickel-Catalyzed Activation of Amide C–N Bonds (2015) (362)
- Theory of asymmetric organocatalysis of Aldol and related reactions: rationalizations and predictions. (2004) (351)
- Silicon Atom Substitution Enhances Interchain Packing in a Thiophene‐Based Polymer System (2010) (344)
- Accounts of Chemical Research. (2008) (336)
- Density Functional Theory Prediction of the Relative Energies and Isotope Effects for the Concerted and Stepwise Mechanisms of the Diels−Alder Reaction of Butadiene and Ethylene (1996) (329)
- Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals. (2010) (303)
- Computational explorations of mechanisms and ligand-directed selectivities of copper-catalyzed Ullmann-type reactions. (2010) (279)
- The reduction potential of nitric oxide (NO) and its importance to NO biochemistry (2002) (275)
- Iterative approach to computational enzyme design (2012) (275)
- Palladium-catalyzed meta-selective C-H bond activation with a nitrile-containing template: computational study on mechanism and origins of selectivity. (2014) (264)
- Theory and modeling of stereoselective organic reactions. (1986) (264)
- Nitrogen-rich oligoacenes: candidates for n-channel organic semiconductors. (2007) (261)
- Polyacene and cyclacene geometries and electronic structures: bond equalization, vanishing band gaps, and triplet ground states contrast with polyacetylene. (2001) (253)
- Transition states of amine-catalyzed aldol reactions involving enamine intermediates: theoretical studies of mechanism, reactivity, and stereoselectivity. (2001) (253)
- A Standard Set of Pericyclic Reactions of Hydrocarbons for the Benchmarking of Computational Methods: The Performance of ab Initio, Density Functional, CASSCF, CASPT2, and CBS-QB3 Methods for the Prediction of Activation Barriers, Reaction Energetics, and Transition State Geometries (2003) (247)
- Computational prediction of small-molecule catalysts (2008) (246)
- Suzuki-Miyaura cross-coupling of aryl carbamates and sulfamates: experimental and computational studies. (2011) (241)
- Gold-catalyzed cycloisomerization of 1,5-allenynes via dual activation of an ene reaction. (2008) (240)
- Direct asymmetric anti-Mannich-type reactions catalyzed by a designed amino acid. (2006) (233)
- Bifurcations on potential energy surfaces of organic reactions. (2008) (232)
- Conceptual, Qualitative, and Quantitative Theories of 1,3‐Dipolar and Diels–Alder Cycloadditions Used in Synthesis (2006) (230)
- Stereoselective nitrile oxide cycloadditions to chiral allyl ethers and alcohols. The inside alkoxy effect (1984) (228)
- Why enzymes are proficient catalysts: beyond the Pauling paradigm. (2005) (223)
- Structures and stabilities of α-hetero-substituted organolithium and organosodium compounds. Energetic unimportance of d-orbital effects (1984) (220)
- Generalized frontier orbitals of alkenes and dienes. Regioselectivity in Diels-Alder reactions (1973) (220)
- Role of N-acyl amino acid ligands in Pd(II)-catalyzed remote C-H activation of tethered arenes. (2014) (215)
- The origin of stereoselectivity in proline-catalyzed intramolecular aldol reactions. (2001) (210)
- Staggered models for asymmetric induction: attack trajectories and conformations of allylic bonds from ab initio transition structures of addition reactions (1982) (210)
- Quantitative evaluation of the lengths of homobifunctional protein cross‐linking reagents used as molecular rulers (2001) (210)
- Origin of regioselectivity in palladium-catalyzed cross-coupling reactions of polyhalogenated heterocycles. (2007) (210)
- The First Heterobimetallic Multifunctional Asymmetric Catalyst (1995) (207)
- Ligand-controlled regioselectivity in palladium-catalyzed cross coupling reactions. (2010) (200)
- Electronic Control of Stereoselectivities of Electrocyclic Reactions of Cyclobutenes: A Triumph of Theory in the Prediction of Organic Reactions (1996) (198)
- Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry (2012) (196)
- Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59 (2012) (196)
- Transition structures for additions of lithium hydride and methyllithium to ethylene and acetylene (1985) (192)
- Activation energies of pericyclic reactions: performance of DFT, MP2, and CBS-QB3 methods for the prediction of activation barriers and reaction energetics of 1,3-dipolar cycloadditions, and revised activation enthalpies for a standard set of hydrocarbon pericyclic reactions. (2005) (189)
- The Role of Aryne Distortions, Steric Effects, and Charges in Regioselectivities of Aryne Reactions (2014) (189)
- Computational evidence for the enamine mechanism of intramolecular aldol reactions catalyzed by proline. (2004) (186)
- Unconventional, chemically stable, and soluble two-dimensional angular polycyclic aromatic hydrocarbons: from molecular design to device applications. (2015) (184)
- Mechanism of ene reactions of singlet oxygen. A two-step no-intermediate mechanism. (2003) (183)
- The photochemistry and spectroscopy of β,γ-unsaturated carbonyl compounds (1976) (183)
- Distortion/Interaction analysis reveals the origins of selectivities in iridium-catalyzed C-H borylation of substituted arenes and 5-membered heterocycles. (2014) (179)
- Indolyne and aryne distortions and nucleophilic regioselectivites. (2010) (178)
- The magnitude of [C-H...O] hydrogen bonding in molecular and supramolecular assemblies. (2001) (178)
- Mechanisms and origins of switchable chemoselectivity of Ni-catalyzed C(aryl)-O and C(acyl)-O activation of aryl esters with phosphine ligands. (2014) (177)
- Reactivity and regioselectivity in 1,3-dipolar cycloadditions of azides to strained alkynes and alkenes: a computational study. (2009) (176)
- Stereoselective substituent effects on conrotatory electrocyclic reactions of cyclobutenes (1984) (174)
- Theozymes and compuzymes: theoretical models for biological catalysis. (1998) (174)
- Insertion of Helium and Molecular Hydrogen Through the Orifice of an Open Fullerene. (2001) (173)
- Aromatic interactions as control elements in stereoselective organic reactions. (2013) (172)
- EFFECT OF GUANINE STACKING ON THE OXIDATION OF 8-OXOGUANINE IN B-DNA (1998) (170)
- Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes. (2009) (169)
- Substituent effects in cation/pi interactions and electrostatic potentials above the centers of substituted benzenes are due primarily to through-space effects of the substituents. (2009) (168)
- Indolyne experimental and computational studies: synthetic applications and origins of selectivities of nucleophilic additions. (2010) (167)
- All-Carbon Molecules: Evidence for the Generation of Cyclo[18]carbon from a Stable Organic Precursor (1989) (167)
- Transition states of strain-promoted metal-free click chemistry: 1,3-dipolar cycloadditions of phenyl azide and cyclooctynes. (2008) (164)
- The origins of femtomolar protein-ligand binding: hydrogen-bond cooperativity and desolvation energetics in the biotin-(strept)avidin binding site. (2007) (161)
- Extended Hartree-Fock (EHF) theory of chemical reactions (1988) (159)
- Magnitudes and Chemical Consequences of R3N+−C−H···OC Hydrogen Bonding (2002) (159)
- Control of the exo and endo pathways of the Diels-Alder reaction by antibody catalysis. (1993) (158)
- The mechanism of the self-initiated thermal polymerization of styrene. Theoretical solution of a classic problem. (2005) (158)
- Palladium-Catalyzed Suzuki-Miyaura Coupling of Aryl Esters. (2017) (156)
- Diels-Alder dimerization of 1,3-butadiene: an ab initio CASSCF study of the concerted and stepwise mechanisms and butadiene-ethylene revisited (1993) (156)
- Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution. (2011) (155)
- Lewis acid catalysis of Diels-Alder reactions (1973) (154)
- Ligand-accelerated enantioselective methylene C(sp3)–H bond activation (2016) (154)
- Probing substituent effects in aryl-aryl interactions using stereoselective Diels-Alder cycloadditions. (2010) (154)
- Z-Selectivity in olefin metathesis with chelated Ru catalysts: computational studies of mechanism and selectivity. (2012) (153)
- Diels-Alder reactivities of strained and unstrained cycloalkenes with normal and inverse-electron-demand dienes: activation barriers and distortion/interaction analysis. (2013) (152)
- Methoxy group nonplanarity in o-dimethoxybenzenes. Simple predictive models for conformations and rotational barriers in alkoxyaromatics (1979) (151)
- Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins. (2009) (149)
- Experimental-Computational Synergy for Selective Pd(II)-Catalyzed C-H Activation of Aryl and Alkyl Groups. (2017) (148)
- Theory of stereoselection in conrotatory electrocyclic reactions of substituted cyclobutenes (1985) (147)
- The physiological chemistry and biological activity of nitroxyl (HNO): the neglected, misunderstood, and enigmatic nitrogen oxide. (2005) (147)
- Experimental and Theoretical Kinetic Isotope Effects for Asymmetric Dihydroxylation. Evidence Supporting a Rate-Limiting “(3 + 2)” Cycloaddition (1997) (147)
- The Role of Distant Mutations and Allosteric Regulation on LovD Active Site Dynamics (2014) (146)
- C-H...O INTERACTIONS AS A CONTROL ELEMENT IN SUPRAMOLECULAR COMPLEXES : EXPERIMENTAL AND THEORETICAL EVALUATION OF RECEPTOR AFFINITIES FOR THE BINDING OF BIPYRIDINIUM-BASED GUESTS BY CATENATED HOSTS (1999) (144)
- Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods. (2008) (140)
- The concept of protobranching and its many paradigm shifting implications for energy evaluations. (2007) (139)
- Hetero-Diels-Alder reaction transition structures: reactivity, stereoselectivity, catalysis, solvent effects, and the exo-lone-pair effect (1993) (139)
- Theoretical study of the molecular ordering, paracrystallinity, and charge mobilities of oligomers in different crystalline phases. (2015) (137)
- Ionization potentials, electron affinities, and reactivities of cyanoalkenes and related electron-deficient alkenes. A frontier molecular orbital treatment of cyanoalkene reactivities in cycloaddition, electrophilic, nucleophilic, and radical reactions (1976) (137)
- Control and design of mutual orthogonality in bioorthogonal cycloadditions. (2012) (135)
- On the acidity and reactivity of HNO in aqueous solution and biological systems (2001) (134)
- On the mechanism of [Rh(CO)2Cl]2-catalyzed intermolecular (5 + 2) reactions between vinylcyclopropanes and alkynes. (2004) (133)
- Theoretical studies of conformations of acrolein, acrylic acid, methyl acrylate, and their Lewis acid complexes (1987) (132)
- Synchronicity in Multibond Reactions (1988) (131)
- Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. (2012) (131)
- Chemical genetics screen for enhancers of rapamycin identifies a specific inhibitor of an SCF family E3 ubiquitin ligase. (2010) (130)
- A proficient enzyme revisited: the predicted mechanism for orotidine monophosphate decarboxylase. (1997) (129)
- Steric retardation of SN2 reactions in the gas phase and solution. (2004) (129)
- Electronic and conformational effects on .pi.-facial stereoselectivity in nucleophilic additions to carbonyl compounds (1987) (128)
- Open-shell singlet character of cyclacenes and short zigzag nanotubes. (2007) (127)
- Quantum Mechanical Methods and the Interpretation and Prediction of Pericyclic Reaction Mechanisms (1997) (124)
- Conformational Analysis of Chiral Alkenes and Oxonium Ions: Ab initio Molecular Orbital Calculations and an Improved MM2 Force Field (1991) (124)
- Isomeric cyclopropenes exhibit unique bioorthogonal reactivities. (2013) (123)
- Origin of .pi.-facial stereoselectivity in additions to .pi.-bonds: generality of the anti-periplanar effect (1981) (123)
- Transition structures of the Lewis acid-catalyzed Diels-Alder reaction of butadiene with acrolein. The origins of selectivity (1990) (123)
- Metal-free oxidation of aromatic carbon–hydrogen bonds through a reverse-rebound mechanism (2013) (123)
- Steric Models for Stereoselectivity of Nitrile Oxide Cycloadditions to Chiral Alkenes (1986) (121)
- Origins of differences in reactivities of alkenes, alkynes, and allenes in [Rh(CO)2Cl]2-catalyzed (5 + 2) cycloaddition reactions with vinylcyclopropanes. (2008) (119)
- Transition states and selectivities of singlet carbene cycloadditions (1980) (118)
- SAM-Dependent Enzyme-Catalysed Pericyclic Reactions in Natural Product Biosynthesis (2017) (117)
- Potassium tert-Butoxide-Catalyzed Dehydrogenative C-H Silylation of Heteroaromatics: A Combined Experimental and Computational Mechanistic Study. (2017) (117)
- Theoretical elucidation of the origins of substituent and strain effects on the rates of Diels-Alder reactions of 1,2,4,5-tetrazines. (2014) (116)
- Why delta-valerolactone polymerizes and gamma-butyrolactone does not. (2008) (116)
- Are anion/pi interactions actually a case of simple charge-dipole interactions? (2010) (116)
- DENSITY FUNCTIONAL THEORY ISOTOPE EFFECTS AND ACTIVATION ENERGIES FOR THE COPE AND CLAISEN REARRANGEMENTS (1994) (116)
- A synthetic recursive "+1" pathway for carbon chain elongation. (2012) (116)
- Comparison of the NO and HNO donating properties of diazeniumdiolates: primary amine adducts release HNO in Vivo. (2005) (115)
- Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: transition states and mechanisms from contemporary theory. (2002) (115)
- Catalysis of 3-pyrrolidinecarboxylic acid and related pyrrolidine derivatives in enantioselective anti-Mannich-type reactions: importance of the 3-acid group on pyrrolidine for stereocontrol. (2008) (115)
- TRANSITION-STATE MODELING WITH EMPIRICAL FORCE FIELDS (1993) (114)
- Transition structures for the aldol reactions of anionic, lithium, and boron enolates (1990) (114)
- Evidence for the concerted mechanism of the Diels-Alder reaction of butadiene with ethylene. (1986) (113)
- Computational Redesign of a PETase for Plastic Biodegradation under Ambient Condition by the GRAPE Strategy (2021) (113)
- Origins of opposite absolute stereoselectivities in proline-catalyzed direct Mannich and aldol reactions. (2003) (112)
- ACCELERATED RACEMIZATION OF ASPARTIC ACID AND ASPARAGINE RESIDUES VIA SUCCINIMIDE INTERMEDIATES : AN AB INITIO THEORETICAL EXPLORATION OF MECHANISM (1996) (112)
- Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies. (2011) (111)
- Holy Grails for Computational Organic Chemistry and Biochemistry. (2017) (111)
- Asymmetric phosphoric acid–catalyzed four-component Ugi reaction (2018) (111)
- Transition state distortion energies correlate with activation energies of 1,4-dihydrogenations and Diels-Alder cycloadditions of aromatic molecules. (2009) (111)
- Synchronous or Asynchronous? An “Experimental” Transition State from a Direct Comparison of Experimental and Theoretical Kinetic Isotope Effects for a Diels−Alder Reaction (1996) (110)
- Mechanism and enantioselectivity in palladium-catalyzed conjugate addition of arylboronic acids to β-substituted cyclic enones: insights from computation and experiment. (2013) (110)
- NONPLANAR ALKENES AND CARBONYLS: A MOLECULAR DISTORTION WHICH PARALLELS ADDITION STEREOSELECTIVITY (1981) (110)
- Theoretical studies of stereoselective hydroborations (1984) (109)
- An antibody exo Diels-Alderase inhibitor complex at 1.95 angstrom resolution. (1998) (108)
- Understanding reactivity and stereoselectivity in palladium-catalyzed diastereoselective sp3 C-H bond activation: intermediate characterization and computational studies. (2012) (108)
- Dynamics of 1,3-dipolar cycloadditions: energy partitioning of reactants and quantitation of synchronicity. (2010) (107)
- S-N dissociation energies of S-nitrosothiols: on the origins of nitrosothiol decomposition rates. (2001) (107)
- Theoretical bond dissociation energies of halo-heterocycles: trends and relationships to regioselectivity in palladium-catalyzed cross-coupling reactions. (2009) (107)
- Steric effects compete with aryne distortion to control regioselectivities of nucleophilic additions to 3-silylarynes. (2012) (107)
- Barriers to thermally allowed reactions and the elusiveness of neutral homoaromaticity (1979) (106)
- From Porphyrin Isomers to Octapyrrolic “Figure Eight” Macrocycles (1995) (106)
- Intramolecular 1,3-dipolar ene reactions of nitrile oxides occur by stepwise 1,1-cycloaddition/retro-ene mechanisms. (2003) (105)
- Accurate reaction enthalpies and sources of error in DFT thermochemistry for aldol, Mannich, and alpha-aminoxylation reactions. (2009) (105)
- Covalently patterned graphene surfaces by a force-accelerated Diels-Alder reaction. (2013) (105)
- Iodoarene-Catalyzed Stereospecific Intramolecular sp(3) C-H Amination: Reaction Development and Mechanistic Insights. (2015) (105)
- Electronic and steric control of regioselectivities in Rh(I)-catalyzed (5 + 2) cycloadditions: experiment and theory. (2010) (105)
- Nickel-Catalyzed Activation of Acyl C-O Bonds of Methyl Esters. (2016) (105)
- Stereoselectivities of nucleophilic additions to cyclohexanones substituted by polar groups. Experimental investigation of reductions of trans-decalones and theoretical studies of cyclohexanone reductions. The influence of remote electrostatic effects (1991) (104)
- Transition States of Epoxidations: Diradical Character, Spiro Geometries, Transition State Flexibility, and the Origins of Stereoselectivity (1997) (103)
- Origin of enantioselectivity in benzotetramisole-catalyzed dynamic kinetic resolution of azlactones. (2012) (103)
- Computational methods to calculate accurate activation and reaction energies of 1,3-dipolar cycloadditions of 24 1,3-dipoles. (2011) (103)
- Bioorthogonal Cycloadditions: Computational Analysis with the Distortion/Interaction Model and Predictions of Reactivities. (2017) (103)
- Das Distortion/Interaction‐Activation‐Strain‐Modell zur Analyse von Reaktionsgeschwindigkeiten (2017) (103)
- Evaluation and ranking of enzyme designs (2010) (102)
- Neighboring side chain effects on asparaginyl and aspartyl degradation: an ab initio study of the relationship between peptide conformation and backbone NH acidity. (2001) (102)
- Brønsted acid catalyzed asymmetric propargylation of aldehydes. (2012) (102)
- Theory and Modeling of Asymmetric Catalytic Reactions. (2016) (100)
- Redox-Neutral α-Oxygenation of Amines: Reaction Development and Elucidation of the Mechanism (2014) (100)
- Short, Strong Hydrogen Bonds in the Gas Phase and in Solution: Theoretical Exploration of pKa Matching and Environmental Effects on the Strengths of Hydrogen Bonds and Their Potential Roles in Enzymatic Catalysis (1998) (99)
- Design of catalysts for site-selective and enantioselective functionalization of non-activated primary C–H bonds (2018) (98)
- Origins of stereoselectivity in Diels-Alder cycloadditions catalyzed by chiral imidazolidinones. (2006) (97)
- Ligand effects on rates and regioselectivities of Rh(I)-catalyzed (5 + 2) cycloadditions: a computational study of cyclooctadiene and dinaphthocyclooctatetraene as ligands. (2012) (97)
- A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion (2018) (96)
- Evolution of shape complementarity and catalytic efficiency from a primordial antibody template. (1999) (96)
- Nature of intermediates in organo-SOMO catalysis of alpha-arylation of aldehydes. (2010) (96)
- Reversal of nitrone cycloaddition regioselectivity with electron-deficient dipolarophiles (1973) (96)
- The Mechanism of the Slippage Approach to Rotaxanes. Origin of the “All-or-Nothing” Substituent Effect† (1998) (96)
- 1,2,4-Triazines Are Versatile Bioorthogonal Reagents. (2015) (95)
- Catalytic asymmetric intermolecular Stetter reactions of enolizable aldehydes with nitrostyrenes: computational study provides insight into the success of the catalyst. (2012) (95)
- Theoretical studies of stereoselectivities of intramolecular aldol cyclizations catalyzed by amino acids. (2005) (95)
- Computational Exploration of Rh(III)/Rh(V) and Rh(III)/Rh(I) Catalysis in Rhodium(III)-Catalyzed C-H Activation Reactions of N-Phenoxyacetamides with Alkynes. (2016) (95)
- Dynamically Complex [6+4] and [4+2] Cycloadditions in the Biosynthesis of Spinosyn A. (2016) (94)
- Remote ester groups switch selectivity: diastereodivergent synthesis of tetracyclic spiroindolines. (2014) (93)
- The Chemistry and Biology of Nitroxyl (HNO): A Chemically Unique Species with Novel and Important Biological Activity (2005) (93)
- Geometries of nitrilium betaines. The clarification of apparently anomalous reactions of 1,3-dipoles (1976) (93)
- Mechanism of aerobic decomposition of Angeli's salt (sodium trioxodinitrate) at physiological pH. (2005) (93)
- Carbene singlet-triplet gaps. Linear correlations with substituent. pi. donation (1981) (92)
- Experimental Geometry of the Epoxidation Transition State (1997) (91)
- Rationalization of enantioselectivities in dialkylzinc additions to benzaldehyde catalyzed by fenchone derivatives. (2000) (91)
- Origins of regioselectivity and alkene-directing effects in nickel-catalyzed reductive couplings of alkynes and aldehydes. (2010) (91)
- Ligand steric contours to understand the effects of N-heterocyclic carbene ligands on the reversal of regioselectivity in Ni-catalyzed reductive couplings of alkynes and aldehydes. (2011) (90)
- Origins of stereoselectivity in the trans Diels-Alder paradigm. (2010) (90)
- Scalable and selective dispersion of semiconducting arc-discharged carbon nanotubes by dithiafulvalene/thiophene copolymers for thin film transistors. (2013) (90)
- Mechanisms of HNO and NO production from Angeli's salt: density functional and CBS-QB3 theory predictions. (2004) (89)
- Torquoselectivity in the electrocyclic conversion of benzocyclobutenes to o-xylylenes (1992) (89)
- Computational predictions of stereochemistry in asymmetric thiazolium- and triazolium-catalyzed benzoin condensations. (2004) (89)
- Substituent effects and transition structures for Diels-Alder reactions of butadiene and cyclopentadiene with cyanoalkenes (1989) (89)
- Regioselectivity and reactivity in the 1,3-dipolar cycloadditions of diazonium betaines (diazoalkanes, azides, and nitrous oxide) (1972) (89)
- High-yield sorting of small-diameter carbon nanotubes for solar cells and transistors. (2014) (89)
- Origins of stereoselectivities in chiral phosphoric acid catalyzed allylborations and propargylations of aldehydes. (2013) (88)
- Dynamic Jahn-Teller effect in methane radical cation. Location of the transition structures for hydrogen scrambling and inversion (1985) (88)
- Ab Initio Mechanisms for the Addition of CH3Li, HLi, and Their Dimers to Formaldehyde (1985) (88)
- Frontier molecular orbital theory of substitutent effects on regioselectivities of nucleophilic additions and cycloadditions to benzoquinones and naphthoquinones (1981) (87)
- Origins of Selectivities in Proline-Catalyzed α-Aminoxylations (2004) (87)
- Origin of enantioselectivity in CF3-PIP-catalyzed kinetic resolution of secondary benzylic alcohols. (2008) (86)
- Vacancy-mediated dehydrogenation of sodium alanate (2008) (86)
- Gating as a Control Element in Constrictive Binding and Guest Release by Hemicarcerands (1996) (85)
- Decomposition pathways of Z-selective ruthenium metathesis catalysts. (2012) (85)
- Cycloaddition reactions of butadiene and 1,3-dipoles to curved arenes, fullerenes, and nanotubes: theoretical evaluation of the role of distortion energies on activation barriers. (2009) (85)
- Synthesis and reactivity comparisons of 1-methyl-3-substituted cyclopropene mini-tags for tetrazine bioorthogonal reactions. (2014) (84)
- Substituent effects, reactant preorganization, and ligand exchange control the reactivity in Rh(I)-catalyzed (5+2) cycloadditions between vinylcyclopropanes and alkynes. (2008) (84)
- Theory, Spectroscopy, and Crystallographic Analysis of S-Nitrosothiols: Conformational Distribution Dictates Spectroscopic Behavior (2000) (84)
- Ionic and Neutral Mechanisms for C-H Bond Silylation of Aromatic Heterocycles Catalyzed by Potassium tert-Butoxide. (2017) (84)
- Dynamics, transition states, and timing of bond formation in Diels–Alder reactions (2012) (83)
- Structural reorganization and preorganization in enzyme active sites: comparisons of experimental and theoretically ideal active site geometries in the multistep serine esterase reaction cycle. (2008) (83)
- Diels-Alder exo selectivity in terminal-substituted dienes and dienophiles: experimental discoveries and computational explanations. (2009) (83)
- INFLUENCE OF MOLECULAR DISTORTIONS UPON REACTIVITY AND STEREOCHEMISTRY IN NUCLEOPHILIC ADDITIONS TO ACETYLENES (1979) (83)
- Dynamics of the degenerate rearrangement of bicyclo[3.1.0]hex-2-ene. (2006) (82)
- Mechanism of gold(I)-catalyzed rearrangements of acetylenic amine-N-oxides: computational investigations lead to a new mechanism confirmed by experiment. (2012) (82)
- Origin of Enantioselectivities in Chiral β-Amino Alcohol Catalyzed Asymmetric Additions of Organozinc Reagents to Benzaldehyde: PM3 Transition State Modeling (1998) (81)
- Transition structures of the Diels-Alder reaction of butadiene with acrolein (1989) (81)
- The origin of the halogen effect on reactivity and reversibility of Diels-Alder cycloadditions involving furan. (2006) (80)
- The photoarrangement of alpha-santonin is a single-crystal-to-single-crystal reaction: a long kept secret in solid-state organic chemistry revealed. (2007) (80)
- Enzymatic hydroxylation of an unactivated methylene C–H bond guided by molecular dynamics simulations (2015) (80)
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- Experimental Determination of the Activation Parameters and Stereoselectivities of the Intramolecular Diels—Alder Reactions of 1,3,8‐Nonatriene, 1,3,9‐Decatriene, and 1,3,10‐Undecatriene and Transition State Modeling with the Monte Carlo‐Jumping Between Wells/Molecular Dynamics Method. (1998) (0)
- Nitrene-Mediated Multicomponent Couplings and Macrocyclization by CH-Functionalization (2022) (0)
- Theoretical Studies of Antibody Catalysis (2005) (0)
- (Invited) Graphene Nanoribbons through Directed Molecular Assembly and Reagent-less Stitching (2018) (0)
- Quantitative Predictions of Substituent and Solvent Effects on the Regioselectivities of Nitrile Oxide Cycloadditions to Electron‐Deficient Alkynes. (2001) (0)
- Transition Structures (III) of Ene Reactions of Ethylene (Ia) and Formaldehyde (Ib) with Propene (1988) (0)
- Origins of Regio- and Stereoselectivity in Acid-Promoted Reactions of α-Lactams. (1999) (0)
- The Double Aldol-Tishchenko Reaction of Butanone, Cyclobutanone and a 3-Pentanone Derived Sulfinylimine and DFT Calculations of the Stereo-determining Step. (2023) (0)
- Fungal Indole Alkaloid Biogenesis Through Evolution of a Bifunctional Reductase/Diels-Alderase (2018) (0)
- Unconventional, Chemically Stable, and Soluble Two-Dimensional Angular Polycyclic Aromatic Hydrocarbons: From Molecular Design to Device Applications (2015) (0)
- Stereodivergent Attached‐Ring Synthesis via Non‐Covalent Interactions: A Short Formal Synthesis of Merrilactone A (2021) (0)
- Gold‐Catalyzed, Intramolecular, Oxygen‐Transfer Reactions of 2‐Alkynyl‐1,5‐diketones or 2‐Alkynyl‐5‐ketoesters: Scope, Expansion, and Mechanistic Investigations on a New [4 + 2] Cycloaddition. (2012) (0)
- Designed protein KE59 R1 7/10H with G130S mutation (2012) (0)
- Intramolecular Cycloadditions of Cyclobutadiene with Dienes: Experimental and Computational Studies of the Competing [2 + 2] and [4 + 2] Modes of Reaction. (2004) (0)
- An Asymmetric Pericyclic Cascade Approach to 3‐Alkyl‐3‐aryloxindoles: Generality, Applications and Mechanistic Investigations. (2015) (0)
- Experimental and Theoretical Studies of Substituent Effects on an Orbital Symmetry Forbidden Electrocyclization. (1989) (0)
- All-Carbon Molecules: Evidence for the Generation of Cyclo(18)carbon from a Stable Organic Precursor. (1990) (0)
- POLAR EFFECTS ON DI-Π-METHANE REARRANGEMENTS. REGIOSPECIFICITY IN THE TRIPLET-SENSITIZED PHOTOISOMERIZATIONS OF 2-CYANOBENZONORBORNADIENES CARRYING METHOXY ARYL SUBSTITUENTS (1980) (0)
- Stereochemistry and Reaction Mechanism (1986) (0)
- Broensted Acid Catalyzed Asymmetric Propargylation of Aldehydes. (2012) (0)
- Synthesis (S)-RO4999200 (2015) (0)
- Theoretical Studies of the Structure, Aromaticity, and Magnetic Properties of o‐Benzyne. (1998) (0)
- Organoboron Compounds in Organic Synthesis. Part 3. Mechanism of Asmmetric Reduction of Dialkyl Ketones with (R,R)-2,5-Dimethylborolane. (1987) (0)
- A (3 + 2)Cycloaddition Approach to 1α,2β,25- Trihydroxyvitamin D3 A Ring Synthon. (1993) (0)
- Orbital and Electron Density Diagrams: An Application of Computer Graphics (Streitwieser, Andrew) (1977) (0)
- Computational Exploration of the Nature of Li+-Ureide Anion Catalysis on Formation of Highly Reactive Vinyl Carbocations and Subsequent C-C Bond Forming Reactions. (2023) (0)
- Computational Design of a Tetrapericyclic Cycloaddition and the Nature of Potential Energy Surfaces with Multiple Bifurcations (2023) (0)
- Sungeidinesfrom a Non-canonical Enediyne BiosyntheticPathway (2020) (0)
- Creating Quaternary Centers with High Exo Stereoselectivity Using Activated α-Alkynyl Dienophiles. (2007) (0)
- Quantum Mechanical Design and Evaluation of Active Sites of Novel Enzymes (2007) (0)
- Supporting Online Material for Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction (2010) (0)
- Theoretical Study of the Facial Selectivity in Diels—Alder Reactions of 4,4‐Disubstituted Cyclohexadienones. (1998) (0)
- Oxygen mediated oxidative couplings of flavones in alkaline water (2022) (0)
- Stereoselective Synthesis of the Tetracyclic Core of Manzamine via the Vinylogous Amide Photocycloaddition Cascade. (1998) (0)
- A FRONTIER MOLECULAR ORBITAL TREATMENT OF FULVENE CYCLOADDITIONS-MOLECULAR ORBITAL CALCULATIONS AND PHOTOELECTRON SPECTRA OF SUBSTITUTED FULVENES (1974) (0)
- GENERALIZED FRONTIER ORBITALS OF ALKENES AND DIENES, REGIOSELECTIVITY IN DIELS-ALDER-REACTIONS (1973) (0)
- Intercepting fleeting cyclic allenes with asymmetric nickel catalysis (2020) (0)
- 1P104 Conformational preference in the tetrahedral intermediates of the acylation step of ester hydrolysis catalyzed by lipases and esterases (2005) (0)
- Reactivity of (η6-Arene)tricarbonylchromium Complexes Toward Additions of Anions, Cations, and Radicals. (2001) (0)
- A qualitative molecular orbital rationalization of the selectivities in ortho , meta , and cycloadditions of singlet excited states of substituted benzenes to alkenes , and of triplet (2006) (0)
- Theory of Acids and Bases I. Relationships Between Structure and Acidity and Basicity II. Theory of Medium Effects on Acidity and Basicity (1994) (0)
- Z-to-E isomerization processes in reactions catalyzed by cyclometalated ruthenium alkylidenes (2015) (0)
- Prediction and Experimental Verification of the Stereoselective Electrocyclization of 3-Formylcyclobutene. (1988) (0)
- Probative Evidence and Quantitative Energetics for the Unimolecular Mechanism of the 1,5-Sigmatropic Hydrogen Shift of Cyclopentadiene. (2022) (0)
- Prediction of Directional Selectivity of Photoreactions by Molecular Orbital Theory (1981) (0)
- Conformational analysis of a nitroxide side chain in α -helices with Density Functional Theory (2012) (0)
- ON LEWIS ACID CATALYSIS OF DIELS-ALDER-REACTIONS (1973) (0)
- PNAS Plus Significance Statements (2015) (0)
- Structural basis of the Cope rearrangement and C–C bond-forming cascade in hapalindole/fischerindole biogenesis (2017) (0)
- An artificial metalloenzyme for a bimolecular Diels–Alder reaction (2019) (0)
- On the Origin of Cavity-Filling Conformations of Macrocycles: A 1H NMR Spectroscopic and Force-Field Computational Study. (1989) (0)
- Inside Back Cover: The Triplet Surface of the Zimmerman Di‐π‐Methane Rearrangement of Dibenzobarrelene (Angew. Chem. Int. Ed. 52/2012) (2012) (0)
- Bonding and Structure (1976) (0)
- Catalytic properties of 4,5-bridged proline methano- and ethanologues in the Hajos–Parrish intramolecular aldol reaction (2022) (0)
- Instrumental Inorganic Chemistry (1979) (0)
- CYCLOADDITIONSRK. VON TROPON UND 2,5-DIMETHYL-3,4-DIPHENYL-CYCLOPENTADIENON (1970) (0)
- SYNTHESIS OF AZULENE FROM 6-(ACYLOXY)FULVENES (1982) (0)
- Electronic Control of the Stereoselectivities of Electrocyclic Reactions of Cyclobutenes Against Incredible Steric Odds. (1988) (0)
- Challenges in Opening a Large Orifice on the Surface of Fullerene C60 (2007) (0)
- Biosynthesis of thiocarboxylic acid-containing natural products (2018) (0)
- Unusual Reversal of Regioselectivity in Antibody‐Mediated Aldol Additions with Unsymmetrical Methyl Ketones. (2004) (0)
- Stereoselectivities of Thermal and Lewis Acid Catalyzed Diels-Alder Reactions of 1,2,2-Trimethylpropyl Acrylate with Cyclopentadiene. (1994) (0)
- Lewis Acid Reversal of the Torquoselectivity of the Electrocyclic Ring Opening of 3-Acetylcyclobutene. (1993) (0)
- Conformational Preferences of the O‐C‐C‐C Unit in Acyclic and Cyclic Systems. The Exo‐Deoxoanomeric Effect and Related Phenomena (1993) (0)
- Crystal structure HpiC1 Y101F (2018) (0)
- Prediction of High-Yielding Single-Step or Cascade Pericyclic Reactions for the Synthesis of Complex Synthetic Targets. (2022) (0)
- Organic Compounds: Syntheses / Stereochemistry / Reactivity (1978) (0)
- Crystal structure HpiC1 W73M/K132M (2018) (0)
- Photoelectron spectra of psychotropic drugs. III. Ionization potentials and partition coefficients as predictors of substituted amphetamine psychoactivities (2009) (0)
- IONIZATION POTENTIALS, ELECTRON AFFINITIES, AND MOLECULAR ORBITALS OF 2-SUBSTITUTED NORBORNADIENES. THEORY OF 1,2 AND HOMO-1,4 CARBENE CYCLOADDITION SELECTIVITIES (1983) (0)
- Retro-Cycloadditions and Sigmatropic Shifts: The C7H8 and C7H10 Potential Energy Surfaces (2010) (0)
- Additions and Corrections - On "Anomalous" Selectivities in Electrophilic Aromatic Substitutions (1979) (0)
- Asymmetric Induction in Nitrile Oxide Cycloadditions to Optically Active Acrylates. Comparisons of Acrylate Conformations in Thermal and Acid-Catalyzed 1,3-Dipolar and Diels-Alder Cycloaddition Transition States. (1987) (0)
- Suzuki-Miyaura Cross-Coupling of Aryl Carbamatesand Sulfamates (2011) (0)
- Transition Structures for Homodienyl 1,5-Sigmatropic Hydrogen Shifts: Origin of the High Endo Stereoselectivity (1988) (0)
- Transition States of Electrophilic Radical Additions to Alkenes. (1991) (0)
- A Biocatalytic Diels-Alder Reaction Using a DesignedEnzyme (2011) (0)
- Deactivation of Z-selective olefin metathesis catalyst via 1,2-sulfide shift (2018) (0)
- A Convergent Strategy for the Asymmetric Synthesis of Enantiomerically Pure Bicyclic Compounds by Using a Silicon‐Directed Cycloaddition Reaction: The Synthesis of Enantiomerically Pure Bicyclo[3.2.0]hept‐2‐en‐6‐one. (2000) (0)
- Palladium‐Catalyzed Silacyclization of (Hetero)Arenes with a Tetrasilane Reagent through Twofold C−H Activation (2020) (0)
- Theoretical Study of Phosphonamidates, Phosphonamides and Sulfonamides as Transition State Isosteres of Hiv Protease (1996) (0)
- π Complexes of Transition Metals (1972) (0)
- Correction to Mechanisms and Transition States of 1,3-Dipolar Cycloadditions of Phenyl Azide with Enamines: A Computational Analysis (2013) (0)
- Gas-Phase Electron Diffraction (1975) (0)
- The origin of proximity effects on reactivity: a modified MM2 model for the rates of acid-catalyzed lactonizations of hydroxy acids [Erratum to document cited in CA107(1):6606b] (1988) (0)
- Phosphine-catalyzed activation of cyclopropenones: a versatile C3 synthon for (3+2) annulations with unsaturated electrophiles (2022) (0)
- Crystal structure HpiC1 F138S (2018) (0)
- Orientation and Stereoselection (1970) (0)
- Designed protein KE59 R5_11/5F (2012) (0)
- Exploring Dynamic Events of Bacterial Microcompartment Shell Pores (2014) (0)
- Crystal structure HpiC1 Y101F/F138S (2018) (0)
- Nickel-Catalyzed Activation of Acyl C—O Bonds of Methyl Esters. (2016) (0)
- Chromium Tricarbonyl-Coordinated Carbocations (2006) (0)
- Z-selective cross metathesis with 3(E)-1,3-dienes (2016) (0)
- A Diazo-Hooker Reaction, Inspired by the Biosynthesis of Azamerone. (2022) (0)
- Stereoselectivities of Intramolecular Diels‐Alder Reactions. Formation of the Taxane Skeleton. (1991) (0)
- Origins of Contrasteric π-Facial Selectivity in Epoxidations of Encumbered Tetrahydropyridines by a Bifunctional Peracid (2019) (0)
- π-Facial Diastereoselection in Diels—Alder Reactions of (R)-4-[(p-Tolylsulfinyl)methyl]quinols. (1998) (0)
- Crystal structure of NzeB in complex with cyclo-(L-Trp-L-homoalanine) (2021) (0)
- Chem Is Try Computationally and Experimentally: How Will Computational Organic Chemistry Impact Organic Theories, Mechanisms, and Synthesis in the Twenty‐First Century? (2012) (0)
- PERISELECTIVITY IN THE (4 + 2) AND (6 + 4) CYCLOADDITIONS OF DIPHENYLNITRILIMINE TO TROPONE (1978) (0)
- Transition Structures of the Electrocyclic Reactions of cis,cis,cis-1, 3,5-Cyclooctatriene (1994) (0)
- Energizing Listless Pyrimidines by Pre-Distortion for the General Synthesis of 7-Aza-Indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions (2019) (0)
- Rücktitelbild: Stable, Reactive, and Orthogonal Tetrazines: Dispersion Forces Promote the Cycloaddition with Isonitriles (Angew. Chem. 27/2019) (2019) (0)
- Design, Synthesis, and Comparison of Crystal, Solution, and Calculated Structures within a New Family of Cavitands. (1988) (0)
- Diastereofacial Selectivity in Reactions of Substituted Cyclohexyl Radicals. An Experimental and Theoretical Study. (1992) (0)
- Cover Picture: A Theoretical Study of the Mechanism of the Desymmetrization of Cyclic meso-Anhydrides by Chiral Amino Alcohols (ChemCatChem 9/2010) (2010) (0)
- Theoretical Studies of the Lithiation of Enamines. (1989) (0)
- Synthesis of ent-Ketorfanol via a C—H Alkenylation/Torquoselective 6π Electrocyclization Cascade. (2016) (0)
- Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) (2021) (0)
- CYCLOADDITIONSRK. VON CYCLOHEPTATRIEN UND 2,5-DIMETHYL-3,4-DIPHENYL-CYCLOPENTADIENON (1970) (0)
- PHOTOELECTRON SPECTRA OF PSYCHOTROPIC DRUGS. 2. PHENOTHIAZINE AND RELATED TRANQUILIZERS (1977) (0)
- Designed protein KE59 R13 3/11H with benzotriazole (2012) (0)
- Computational and Experimental Study of Ketoreductase Enantioselectivity (2014) (0)
- REVIEWERS ACKNOWLEDGEMENT (2009) (0)
- Accelerated Racemization of Aspartic Acid and Asparagine Residues via Succinimide Intermediates: An ab initio Theoretical Exploration of Mechanism. (1997) (0)
- A Torquoselective Extrusion of Isoxazoline N‐Oxides. Application to the Synthesis of Aryl Vinyl and Divinyl Ketones for Nazarov Cyclization. (2009) (0)
- John D. Roberts, his beginnings at UCLA, his transformation of physical organic chemistry, and his impact on science (2018) (0)
- Organic Chemistry and Theory (1978) (0)
- Anion effect of single ionic salting-out coefficients of hydrophobic electrolytes (1992) (0)
- Structure of the tirandamycin C-bound P450 monooxygenase TamI (2021) (0)
- Theoretical Inorganic Chemistry (1975) (0)
- An NmrA-like enzyme-catalysed redox-mediated Diels–Alder cycloaddition with anti-selectivity (2023) (0)
- Origins of selectivities in proline-catalyzed alpha-aminoxylations. (2004) (0)
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Other Resources About Kendall Houk
What Schools Are Affiliated With Kendall Houk?
Kendall Houk is affiliated with the following schools:
- Stockholm University
- University of the Ryukyus
- Yale University
- Ohio State University
- Institute of Science Tokyo
- University of Birmingham
- Shanghai Jiao Tong University
- University of Bern
- University of Washington
- Texas A&M University
- University of Pittsburgh
- King's College London
- Harvard University
- Uppsala University
- University of New South Wales
- Hacettepe University
- University of Cologne
- Technische Universität Darmstadt
- University of Oxford
- ETH Zurich
- University of Tokyo
- Brock University
- University of California, Los Angeles
- Osaka University
- Technical University of Munich
- Duke University
