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Theoretical Study of the Diels-Alder Reaction of C60. Transition-State Structures and Reactivities of C-C Bonds
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inferred← citeshttps://doi.org/10.1002/(sici)1099-1395(199710)10:10<768::aid-poc938>3.0.co;2-6openalex-snapshot
Diels-Alder addition of butadiene to various thiocarbonyl(R2C?SOn,n=0-2) heterodienophiles andendo-lone pair effect in heterocumulene
inferred← citeshttps://doi.org/10.1002/(sici)1099-1395(199802)11:2<133::aid-poc981>3.0.co;2-ropenalex-snapshot
Gain or loss of aromaticity in Diels–Alder transition states and adducts: a theoretical investigation
inferred← citeshttps://doi.org/10.1002/1521-3765(20010803)7:15<3223::aid-chem3223>3.0.co;2-bopenalex-snapshot
Efficient Preparation of Monoadducts of [60]Fullerene and Anthracenes by Solution Chemistry and Their Thermolytic Decomposition in the Solid State
inferred← citeshttps://doi.org/10.1002/ange.202424776openalex-snapshot
Inverse Electron Demand Diels–Alder Reaction on M 3 N@C 80 (M=Lu, Sc): Reactivity and Reversibility Enable Chemical Separation of Metallofullerenes
inferred← citeshttps://doi.org/10.1002/anie.202424776openalex-snapshot
Inverse Electron Demand Diels–Alder Reaction on M 3 N@C 80 (M=Lu, Sc): Reactivity and Reversibility Enable Chemical Separation of Metallofullerenes
inferred← citeshttps://doi.org/10.1002/chem.200901224openalex-snapshot
Reactivity and Regioselectivity of Noble Gas Endohedral Fullerenes Ng@C60 and Ng2@C60 (Ng=He–Xe)
inferred← citeshttps://doi.org/10.1002/chem.201300648openalex-snapshot
Why Do Cycloaddition Reactions Involving C60 Prefer [6,6] over [5,6] Bonds?
inferred← citeshttps://doi.org/10.1002/cphc.202401026openalex-snapshot
Diels–Alder Reaction of C60 and C70 Fullerenes Confined in a Nanohoop: A Theoretical Study
inferred← citeshttps://doi.org/10.1002/poc.1299openalex-snapshot
Is corannulene a better diene or dienophile? A DFT analysis
inferred← citeshttps://doi.org/10.1002/poc.2930openalex-snapshot
Trapping intermediates and comparing relative reactivities: a DFT M06‐2X study on Diels–Alder cycloadditions of butadiene to C60 and C70
inferred← citeshttps://doi.org/10.1002/poc.3342openalex-snapshot
A theoretical study of the mechanisms for 1,3-dipolar cycloadditions of diphenyldiazomethane to C60and C70
inferred← citeshttps://doi.org/10.1002/poc.3408openalex-snapshot
A DFT study on Diels-Alder cycloadditions oftrans-1,3-butadiene to C60and C70
inferred← citeshttps://doi.org/10.1002/poc.4579openalex-snapshot
Diels–Alder cycloadditions of fullerene: Advances in mechanistic theory
inferred← citeshttps://doi.org/10.1007/978-94-015-9902-3_3openalex-snapshot
New Concepts in Diels-Alder Cycloadditions to Fullerenes
inferred← citeshttps://doi.org/10.1016/j.cplett.2012.02.025openalex-snapshot
C60 bearing ethylene moieties
inferred← citeshttps://doi.org/10.1016/j.diamond.2023.110031openalex-snapshot
Decomposition of solid C60–indene adducts by retro Diels Alder reaction – A kinetic and thermodynamic study
inferred← citeshttps://doi.org/10.1016/j.tet.2014.03.046openalex-snapshot
Regioselectivity in multiple cycloadditions to fullerene C60: vibronic coupling density analysis
inferred← citeshttps://doi.org/10.1016/j.theochem.2003.09.009openalex-snapshot
Gas-phase ion–molecule reactions of neutral C60 with the plasmas of trimethylsilyl ethers and ab initio study on the structures
inferred← citeshttps://doi.org/10.1016/s0009-2614(98)01063-xopenalex-snapshot
On understanding the unique role of electrophilicity on C60 reactivity and strain on exothermicity in Diels–Alder and epoxidation reactions
inferred← citeshttps://doi.org/10.1016/s1872-1508(08)60074-1openalex-snapshot
Regioselectivity of 1,3-Butadiene Diels-Alder Cycloaddition to C59XH (X=N, B)
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00177openalex-snapshot
Theoretical Investigation of Steric Effect Influence on Reactivity of Substituted Butadienes with Bromocyclobutenone
inferred← citeshttps://doi.org/10.1021/ja9614631openalex-snapshot
Theoretical Study of the Regioselectivity of Successive 1,3-Butadiene Diels−Alder Cycloadditions to C60
inferred← citeshttps://doi.org/10.1021/ja9628415openalex-snapshot
Linkage and Solvent Dependence of Photoinduced Electron Transfer in Zincporphyrin-C60 Dyads
inferred← citeshttps://doi.org/10.1021/jacs.6b04898openalex-snapshot
Formation of Curvature Subunit of Carbon in Combustion
inferred← citeshttps://doi.org/10.1021/jo000588sopenalex-snapshot
Aromaticity Interplay between Quinodimethanes and C60 in Diels−Alder Reactions: Insights from a Theoretical Study
inferred← citeshttps://doi.org/10.1021/jo050348iopenalex-snapshot
Open versus Closed 1,3-Dipolar Additions of C60: A Theoretical Investigation on Their Mechanism and Regioselectivity
inferred← citeshttps://doi.org/10.1021/jo051665sopenalex-snapshot
Exohedral Reactivity of Trimetallic Nitride Template (TNT) Endohedral Metallofullerenes
inferred← citeshttps://doi.org/10.1021/jo981148sopenalex-snapshot
Diels−Alder Cycloadditions of 1,3-Butadiene to Polycyclic Aromatic Hydrocarbons (PAH). Quantifying the Reactivity Likeness of Bowl-Shaped PAHs to C60
inferred← citeshttps://doi.org/10.1021/jp055097wopenalex-snapshot
Theoretical Study of NH3 Adsorption on Fe(110) and Fe(111) Surfaces
inferred← citeshttps://doi.org/10.1021/jp904294yopenalex-snapshot
Diels−Alder Reaction between Cyclopentadiene and C60: An Analysis of the Performance of the ONIOM Method for the Study of Chemical Reactivity in Fullerenes and Nanotubes
inferred← citeshttps://doi.org/10.1021/jp960312hopenalex-snapshot
Theoretical Study of Diels−Alder Cycloadditions of Butadiene to C70. An Insight into the Chemical Reactivity of C70 as Compared to C60
inferred← citeshttps://doi.org/10.1023/a:1015565600068openalex-snapshot
Cycloaddition to buckminsterfullerene C60: advancements and future prospects
inferred← citeshttps://doi.org/10.1039/a700250eopenalex-snapshot
The role of cumulenic strain on the kinetic and thermodynamic control of the Diels–Alder reactions involving allenes as dienes
inferred← citeshttps://doi.org/10.1039/b204401copenalex-snapshot
Some cycloadditions of dienes with C60F18: structures and relative stabilities derived from theoretical calculation
inferred← citeshttps://doi.org/10.1039/b818965jopenalex-snapshot
Reaction of [60]fullerene with trans-epoxides: a theoretical study
inferred← citeshttps://doi.org/10.1039/c3py00232bopenalex-snapshot
Diels–Alder reactions for carbon material synthesis and surface functionalization
inferred← citeshttps://doi.org/10.1039/c4cp00346bopenalex-snapshot
Combined activation strain model and energy decomposition analysis methods: a new way to understand pericyclic reactions
inferred← citeshttps://doi.org/10.1039/d0ob00520gopenalex-snapshot
The intermolecular anthracene-transfer in a regiospecific antipodal C 60 difunctionalization
inferred← citeshttps://doi.org/10.1080/10641229909350282openalex-snapshot
Analysis of the Growth Mechanism of Carbon Nanotubes by C2Ingestion
inferred← citeshttps://doi.org/10.1246/bcsj.72.485openalex-snapshot
Organic Photoelectrochemical Cell Mimicking Photoinduced Multistep Electron Transfer in Photosynthesis: Interfacial Structure and Photoelectrochemical Properties of Self-Assembled Monolayers of Porphyrin-Linked Fullerenes on Gold Electrodes
inferred← citeshttps://doi.org/10.1255/ejms.461openalex-snapshot
Gas-Phase Ion—molecule Reactions of C 60 with the Plasma of Methyl Acrylate
inferred← citeshttps://doi.org/10.3390/org3040025openalex-snapshot
Theoretical Study on the Diels–Alder Reaction of Fullerenes: Analysis of Isomerism, Aromaticity, and Solvation
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