{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1363670320282776192.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1021/ja0734086"}},{"identifier":{"@type":"URI","@value":"https://pubs.acs.org/doi/pdf/10.1021/ja0734086"}}],"dc:title":[{"@value":"Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity"}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1383670320282776192","@type":"Researcher","foaf:name":[{"@value":"Daniel H. Ess"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095"}]},{"@id":"https://cir.nii.ac.jp/crid/1383670320282776193","@type":"Researcher","foaf:name":[{"@value":"K. N. Houk"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"00027863"},{"@type":"EISSN","@value":"15205126"}],"prism:publicationName":[{"@value":"Journal of the American Chemical Society"}],"dc:publisher":[{"@value":"American Chemical Society (ACS)"}],"prism:publicationDate":"2007-08-09","prism:volume":"129","prism:number":"35","prism:startingPage":"10646","prism:endingPage":"10647"},"reviewed":"false","url":[{"@id":"https://pubs.acs.org/doi/pdf/10.1021/ja0734086"}],"createdAt":"2007-08-09","modifiedAt":"2021-10-10","relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1360002216635594624","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Recent Advances of Catalytic Asymmetric 1,3-Dipolar Cycloadditions"}]},{"@id":"https://cir.nii.ac.jp/crid/1360004230287472256","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"A theoretical study for the regioselective Diels–Alder reaction of 5,6‐fulleroid with strained anti‐Bredt olefins"}]},{"@id":"https://cir.nii.ac.jp/crid/1360004232525026944","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Generation of 3-borylbenzynes, their regioselective Diels–Alder reactions, and theoretical analysis"}]},{"@id":"https://cir.nii.ac.jp/crid/1360004233213344000","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"An Endohedral Metallofullerene as a Pure Electron Donor: Intramolecular Electron Transfer in Donor–Acceptor Conjugates of La<sub>2</sub>@C<sub>80</sub> and 11,11,12,12-Tetracyano-9,10-anthra-<i>p</i>-quinodimethane (TCAQ)"}]},{"@id":"https://cir.nii.ac.jp/crid/1360004233213981952","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Origin of Stereocontrol in Guanidine-Bisurea Bifunctional Organocatalyst That Promotes α-Hydroxylation of Tetralone-Derived β-Ketoesters: Asymmetric Synthesis of β- and γ-Substituted Tetralone Derivatives via Organocatalytic Oxidative Kinetic Resolution"}]},{"@id":"https://cir.nii.ac.jp/crid/1360004233631615744","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"F<sub>10</sub>BINOL-derived chiral phosphoric acid-catalyzed enantioselective carbonyl-ene reaction: theoretical elucidation of stereochemical outcomes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360005517318709376","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Computational studies of the mechanism of Pd-Catalyzed Intramolecular Friedel–Crafts allylic alkylation of phenols"}]},{"@id":"https://cir.nii.ac.jp/crid/1360009142886387968","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Enantioselective Epoxidation of 2,3-Disubstituted Naphthoquinones by a Side Chain Truncated Guanidine–Urea Bifunctional Organocatalyst"}]},{"@id":"https://cir.nii.ac.jp/crid/1360013168801006592","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Chiral anthranilic pyrrolidine as custom-made amine catalyst for enantioselective Michael reaction of nitroalkenes with carbonyl compounds"}]},{"@id":"https://cir.nii.ac.jp/crid/1360016868133200512","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"C2-selective alkylation of pyridines by rhodium–aluminum complexes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360017282182660096","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Effect of Substituents in Functional Bipyridonate Ligands on Ruthenium‐Catalyzed Dehydrogenative Oxidation of Alcohols: An Experimental and Computational Study"}]},{"@id":"https://cir.nii.ac.jp/crid/1360017282231328768","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"An Iridium/Aluminum Cooperative Strategy for the β‐C(sp<sup>3</sup>)‐H Borylation of Saturated Cyclic Amines"}]},{"@id":"https://cir.nii.ac.jp/crid/1360285705140182528","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Force constant decomposition for penta‐coordinated XH<sub>3</sub>Cl<sub>2</sub><sup>‐</sup>(X = C, Si, Ge) structures"}]},{"@id":"https://cir.nii.ac.jp/crid/1360285708107556864","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Origin of High Regio-, Diastereo-, and Enantioselectivities in 1,6-Addition of Azlactones to Dienyl <i>N</i>-Acylpyrroles: A Computational Study"}]},{"@id":"https://cir.nii.ac.jp/crid/1360285708130225536","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Adhesion of Epoxy Resin with Hexagonal Boron Nitride and Graphite"}]},{"@id":"https://cir.nii.ac.jp/crid/1360285708193355648","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"How to Control Inversion vs Retention Transmetalation between Pd<sup>II</sup>–Phenyl and Cu<sup>I</sup>–Alkyl Complexes: Theoretical Insight"}]},{"@id":"https://cir.nii.ac.jp/crid/1360298341437810304","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Rh Complex with Unique Rh–Al Direct Bond: Theoretical Insight into its Characteristic Features and Application to Catalytic Reaction via σ-Bond Activation"}]},{"@id":"https://cir.nii.ac.jp/crid/1360301165353648896","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Palladium cluster complex [Pd<sub>13</sub>(μ<sub>4</sub>-C<sub>7</sub>H<sub>7</sub>)<sub>6</sub>]<sup>2+</sup> (C<sub>7</sub>H<sub>7</sub> = tropylium) with an fcc-close-packed cuboctahedral Pd<sub>13</sub> core and isomers: theoretical insight into ligand-control of the Pd<sub>13</sub> core structure"}]},{"@id":"https://cir.nii.ac.jp/crid/1360306905622060672","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Van der Waals interactions between nonpolar alkyl chains and polar oxide surfaces prevent catalyst deactivation in aldehyde gas sensing"}]},{"@id":"https://cir.nii.ac.jp/crid/1360567183167372288","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Unprecedented Chemical Reactivity of a Paramagnetic Endohedral Metallofullerene La@<i>C</i><sub><i>s</i></sub>-C<sub>82</sub> that Leads Hydrogen Addition in the 1,3-Dipolar Cycloaddition Reaction"}]},{"@id":"https://cir.nii.ac.jp/crid/1360572092825980800","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Four-Electron Reduction of Dioxygen on a Metal Surface: Models of Dissociative and Associative Mechanisms in a Homogeneous System"}]},{"@id":"https://cir.nii.ac.jp/crid/1360576118691340928","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Dynamics in Catalytic Asymmetric Diastereoconvergent (3 + 2) Cycloadditions with Isomerizable Nitrones and α-Keto Ester Enolates"}]},{"@id":"https://cir.nii.ac.jp/crid/1360588379378260736","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Mechanistic Investigations of Chiral Lithium Binaphtholate Catalysis for Asymmetric Aldol–Tishchenko Reaction of α-Fluoroarylketones"}]},{"@id":"https://cir.nii.ac.jp/crid/1360846641590281984","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels–Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid–Monophosphoric Acid"}]},{"@id":"https://cir.nii.ac.jp/crid/1360848658065259520","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Adsorption and Activation of Methane on the (110) Surface of Rutile-type Metal Dioxides"}]},{"@id":"https://cir.nii.ac.jp/crid/1360848658145806592","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"(2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M<sub>3</sub>N@C<sub>80</sub>(M = Sc, Y): A Rotating-Intermediate Mechanism"}]},{"@id":"https://cir.nii.ac.jp/crid/1360849942922158976","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Experimental and Theoretical Investigation of an S<sub>N</sub>2-type Pathway for Borate–Fluorine Bond Cleavage by Electron-Rich Late-Transition Metal Complexes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360857593724462592","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Cross-Coupling Reactions of Nitroarenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360857593760944256","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Theoretical Study of the Propene Combustion Catalysis of Chromite Spinels: Reaction Mechanism and Relation between the Activity and Electronic Structure of Spinels"}]},{"@id":"https://cir.nii.ac.jp/crid/1360857593773728256","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Mechanistic insights into entropy-driven 1,2-type Friedel-Crafts reaction with conformationally flexible guanidine-bisthiourea bifunctional organocatalysts"}]},{"@id":"https://cir.nii.ac.jp/crid/1360857593805432064","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Exploring Metal Cluster Catalysts Using Swarm Intelligence: Start with Hydrogen Adsorption"}]},{"@id":"https://cir.nii.ac.jp/crid/1360865820406193664","@type":"Article","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Reductive stereo- and regiocontrolled boryllithiation and borylsodiation of arylacetylenes using flow microreactors"}]},{"@id":"https://cir.nii.ac.jp/crid/1361131414472189312","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Mechanism and Origin of Stereoselectivity in Chiral Phosphoric Acid‐Catalyzed Aldol‐Type Reactions of Azlactones with Vinyl Ethers"}]},{"@id":"https://cir.nii.ac.jp/crid/1361694367953434112","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"sp<sup>3</sup> C–H Borylation Catalyzed by Iridium(III) Triboryl Complex: Comprehensive Theoretical Study of Reactivity, Regioselectivity, and Prediction of Excellent Ligand"}]},{"@id":"https://cir.nii.ac.jp/crid/1390011793672095488","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Theoretical Insights into the Substrate-Dependent Diastereodivergence in (3 + 2) Cycloaddition of α-Keto Ester Enolates with Nitrones"}]},{"@id":"https://cir.nii.ac.jp/crid/1390863860310281344","@type":"Article","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Coordination Chemsitry and Theoretical/Computational Studies"},{"@language":"ja","@value":"錯体化学と理論化学・計算化学研究"}]},{"@id":"https://cir.nii.ac.jp/crid/2050588892097003008","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Effect of resonance on the clickability of alkenyl azides in the strain-promoted cycloaddition with dibenzo-fused cyclooctynes"}]},{"@id":"https://cir.nii.ac.jp/crid/2051433317025190528","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Internal-peripheral diosmylation of sumanene overcoming the dearomatization hurdle by the distortion"}]}],"dataSourceIdentifier":[{"@type":"CROSSREF","@value":"10.1021/ja0734086"},{"@type":"CROSSREF","@value":"10.1002/qua.25438_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1039/c8sc03587c_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/cr5007182_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/acs.inorgchem.9b03053_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/ja307341g_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/acs.joc.0c02084_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1039/d1cc04453b_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1002/cctc.202200280_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1007/s11244-021-01491-4_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1016/j.tet.2021.132339_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1002/anie.202300704_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.4019/bjscc.83.64_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1039/d3cp03262k_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1038/s44160-023-00439-8_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1002/jcc.25226_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/jacs.5b01444_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/acs.jpcc.8b03184_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1246/cl.180156_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1038/s41467-024-53577-8_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/jacs.9b01767_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/jacs.7b04383_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/acs.joc.6b02572_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/ja509407j_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1246/cl.190400_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/acs.inorgchem.0c02936_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/jacs.1c02833_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/acs.joc.4c01404_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/jacs.6b07150_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/acs.accounts.1c00220_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/acs.jpcc.1c06760_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1016/j.tet.2021.132281_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1007/s11244-021-01512-2_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1248/cpb.c22-00041_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1002/chem.201905296_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/ja511149y_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1016/j.tet.2020.131146_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1021/acsomega.9b00129_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"},{"@type":"CROSSREF","@value":"10.1016/j.tet.2013.03.016_references_DOI_3Eyy9nhaiWQtV2HBTrFLKct71Y1"}]}