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Computational Methods To Calculate Accurate Activation and Reaction Energies of 1,3-Dipolar Cycloadditions of 24 1,3-Dipoles
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Substituent Effects in Bioorthogonal Diels–Alder Reactions of 1,2,4,5‐Tetrazines
inferred← citeshttps://doi.org/10.1002/ejoc.201800572openalex-snapshot
Elucidating the Trends in Reactivity of Aza‐1,3‐Dipolar Cycloadditions
inferred← citeshttps://doi.org/10.1002/ejoc.202200478openalex-snapshot
Towards the Synthesis of Highly Hindered Pyrrolidines by Intramolecular AAC Click Reactions: What Can Be Learned from DFT Calculations?**
inferred← citeshttps://doi.org/10.1002/ejoc.202201028openalex-snapshot
Origins of the Reactivity in 1,3‐Dipolar Cycloadditions of Acyl Isocyanide Ylides
inferred← citeshttps://doi.org/10.1002/ejoc.202201082openalex-snapshot
Theoretical Study on Chiral Boron Complex‐Promoted Asymmetric Diels‐Alder Cycloadditions
inferred← citeshttps://doi.org/10.1002/jcc.25752openalex-snapshot
Benchmark study of popular density functionals for calculating binding energies of three‐center two‐electron bonds
inferred← citeshttps://doi.org/10.1002/jcc.27264openalex-snapshot
Periselectivity and ambimodal transition states in cycloadditions of tetrachloro‐o‐benzoquinone with 6,6‐dimethylfulvene
inferred← citeshttps://doi.org/10.1002/kin.21112openalex-snapshot
Theoretical Study of the Reaction of Carbonyl Oxide with Nitrogen Dioxide: CH2OO + NO2
inferred← citeshttps://doi.org/10.1002/mats.202100073openalex-snapshot
Thiol‐Ene Polymerization of Natural Monomers: A DFT Study
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.3610openalex-snapshot
Regioselectivity and stereoselectivity of Diels-Alder reaction: a DFT study on the functionalization of organic semiconductor crystals
inferred← citeshttps://doi.org/10.1002/qua.26824openalex-snapshot
Computational insights into the multi‐Diels–Alder reactions of neutral C60 and its Li+encapsulated analogue: A density functional theory study
inferred← citeshttps://doi.org/10.1002/qua.27038openalex-snapshot
Unveiling the zwitterionic and stepwise mechanism for the domino reactions of amidine with 1,2,4,5‐ and 1,2,3,5‐tetrazines
inferred← citeshttps://doi.org/10.1002/zaac.201800487openalex-snapshot
Scalar Relativistic Density Functional Theoretical Investigation of Higher Complexation Ability of Substituted 1,10‐Phenanthroline over Bipyridine Towards Am3+/Eu3+ Ions
inferred← citeshttps://doi.org/10.1007/s00214-013-1423-zopenalex-snapshot
The mechanism of the cycloaddition reaction of 1,3-dipole molecules with acetylene: an investigation with the unified reaction valley approach
inferred← citeshttps://doi.org/10.1007/s00214-021-02756-7openalex-snapshot
A DFT study on the mechanism and selectivity of [3 + 2] cycloaddition reactions leading to pyrole[2,1-a] phthalazine compounds
inferred← citeshttps://doi.org/10.1007/s00706-017-2110-xopenalex-snapshot
A computational model to predict the Diels–Alder reactivity of aryl/alkyl-substituted tetrazines
inferred← citeshttps://doi.org/10.1007/s10698-016-9253-4openalex-snapshot
Diagnostics in computational organic chemistry
inferred← citeshttps://doi.org/10.1007/s11224-012-0105-0openalex-snapshot
Theoretical study of 1,3-dipolar cycloaddition reactions between 7–10-membered simple cycloalkynes and triazoles R–N3 (R = H, CH3, Ph)
inferred← citeshttps://doi.org/10.1007/s11224-020-01538-4openalex-snapshot
The reactivity enhancement in Diels–Alder cycloaddition of 1,3-diene by cation encapsulation to C60: a computational insight
inferred← citeshttps://doi.org/10.1007/s11224-021-01860-5openalex-snapshot
Evaluation of the mechanism, regio-, and diastereoselectivity of aza-Diels–Alder reactions of 2H-azirine under a Lewis acid catalyst
inferred← citeshttps://doi.org/10.1007/s40995-016-0053-4openalex-snapshot
Theoretical Calculation of Thermodynamic and Kinetic Quantities for 1,3 Dipolar Cycloaddition Reactions Between Nitrile Sulfides R–CNS (R = H, CH3, Ph and Ph(CH3)3) with 7–10 Membered Simple Cycloalkynes
inferred← citeshttps://doi.org/10.1016/j.chemphys.2012.09.003openalex-snapshot
Resonance enhanced multiphoton ionization time-of-flight (REMPI-TOF) study of phosphorous oxychloride (POCl3) dissociation at 235nm: Dynamics of Cl(2Pj) formation
inferred← citeshttps://doi.org/10.1016/j.chemphys.2013.11.010openalex-snapshot
Resonance enhanced multiphoton ionization time-of-flight (REMPI-TOF) study of tetrachloroethylene photodissociation at 235 nm: Role of bound π-σC-Cl∗ state
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.04.015openalex-snapshot
[3+2] Cycloaddition reaction of 1H-phosphorinium-3-olate and 1-methylphosphorinium-3-olate with methyl acrylate: A DFT study
inferred← citeshttps://doi.org/10.1016/j.cplett.2014.03.067openalex-snapshot
Assessment of CCSD(T), MP2, DFT-D, CBS-QB3, and G4(MP2) methods for conformational study of alanine and proline dipeptides
inferred← citeshttps://doi.org/10.1016/j.cplett.2017.03.057openalex-snapshot
N2 elimination thermolysis reactions of 9-(4- and 5-substituted-1,2,3-triazol-1-yl)acridines to produce 1H-pyrido-[4,3,2-kl] derivatives – A theoretical study
inferred← citeshttps://doi.org/10.1016/j.crci.2016.09.002openalex-snapshot
A density functional theory study on the reaction mechanism of hydrazones with α-oxo-ketenes: Comparison between stepwise 1,3-dipolar cycloaddition and Diels–Alder pathways
inferred← citeshttps://doi.org/10.1016/j.fuel.2022.125431openalex-snapshot
Method and automatic program for accurate thermodynamic data of reaction mechanisms for combustion modeling
inferred← citeshttps://doi.org/10.1016/j.jclepro.2023.140078openalex-snapshot
Theoretical insight into the aqueous transformation mechanism of terbutaline using O3 and •OH of advanced oxidation processes
inferred← citeshttps://doi.org/10.1016/j.jct.2012.02.005openalex-snapshot
2,1,3-Benzothiadiazole: Study of its structure, energetics and aromaticity
inferred← citeshttps://doi.org/10.1016/j.jmgm.2024.108933openalex-snapshot
Base-catalyzed thiol-epoxy reactions: Energetic and kinetic evaluations
inferred← citeshttps://doi.org/10.1016/j.molstruc.2017.10.034openalex-snapshot
The concern of emergence of multi-station reaction pathways that might make stepwise the mechanism of the 1,3-dipolar cycloadditions of azides and alkynes
inferred← citeshttps://doi.org/10.1016/j.seppur.2024.130957openalex-snapshot
Insights into the oxidative degradation of decabromodiphenyl ethane initiated by •OH, HO2•, O3, and SO4−•: Mechanism, kinetics, and ecotoxicity evaluation
inferred← citeshttps://doi.org/10.1016/j.tet.2017.06.038openalex-snapshot
The strain-promoted alkyne-nitrone and alkyne-nitrile oxide cycloaddition reactions: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.tet.2022.132860openalex-snapshot
Elucidation of the molecular mechanisms of 1,2,3,5- and 1,2,4,5-tetrazines with strained and electron-rich alkynes
inferred← citeshttps://doi.org/10.1016/j.tetlet.2016.04.020openalex-snapshot
Rapid cycloaddition of a diazo group with an unstrained dipolarophile
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01729openalex-snapshot
Improving the Reliability of, and Confidence in, DFT Functional Benchmarking through Active Learning
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00399openalex-snapshot
Ozone and Other 1,3-Dipoles: Toward a Quantitative Measure of Diradical Character
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00819openalex-snapshot
Can Biomimetic Zinc Compounds Assist a (3 + 2) Cycloaddition Reaction? A Theoretical Perspective
inferred← citeshttps://doi.org/10.1021/acs.joc.0c01767openalex-snapshot
High-Pressure-Promoted and Facially Selective Diels–Alder Reactions of Enzymatically Derived cis-1,2-Dihydrocatechols and Their Acetonide Derivatives: Enantiodivergent Routes to Homochiral and Polyfunctionalized Bicyclo[2.2.2]octenes
inferred← citeshttps://doi.org/10.1021/acs.joc.1c00396openalex-snapshot
Comparison of (5 + 2) Cycloadditions Involving Oxidopyrylium and Oxidopyridinium Ions: Relative Reactivities
inferred← citeshttps://doi.org/10.1021/acs.joc.1c01047openalex-snapshot
Multi-Ion Bridged Pathway of N-Oxides to 1,3-Dipole Dilithium Oxide Complexes
inferred← citeshttps://doi.org/10.1021/acs.joc.2c02264openalex-snapshot
Fluoro, Trifluoromethyl, and Trifluoroacetyl Substituent Effects on Cycloaddition Reactivities: Computations and Analysis
inferred← citeshttps://doi.org/10.1021/acs.joc.6b00948openalex-snapshot
Decreasing Distortion Energies without Strain: Diazo-Selective 1,3-Dipolar Cycloadditions
inferred← citeshttps://doi.org/10.1021/acs.joc.6b02524openalex-snapshot
Origins of the Unfavorable Activation and Reaction Energies of 1-Azadiene Heterocycles Compared to 2-Azadiene Heterocycles in Diels–Alder Reactions
inferred← citeshttps://doi.org/10.1021/acs.joc.6c01459openalex-snapshot
Mechanistic Origins of Chemoselectivity in Trifluorodiazoethane [3 + 2] Cycloadditions: Pseudoradical Versus Zwitterionic Reactivity
inferred← citeshttps://doi.org/10.1021/acs.joc.7b01673openalex-snapshot
Role of Orbital Interactions and Activation Strain (Distortion Energies) on Reactivities in the Normal and Inverse Electron-Demand Cycloadditions of Strained and Unstrained Cycloalkenes
inferred← citeshttps://doi.org/10.1021/acs.joc.7b01928openalex-snapshot
Influence of Endo- and Exocyclic Heteroatoms on Stabilities and 1,3-Dipolar Cycloaddition Reactivities of Mesoionic Azomethine Ylides and Imines
inferred← citeshttps://doi.org/10.1021/acs.joc.7b02092openalex-snapshot
Investigation of Strain-Promoted Azide–Alkyne Cycloadditions in Aqueous Solutions by Capillary Electrophoresis
inferred← citeshttps://doi.org/10.1021/acs.joc.7b03241openalex-snapshot
Bridging the Gap between Pentacene and Perfluoropentacene: Synthesis and Characterization of 2,3,9,10-Tetrafluoropentacene in the Neutral, Cationic, and Dicationic States
inferred← citeshttps://doi.org/10.1021/acs.joc.8b02537openalex-snapshot
Hyperconjugative Aromaticity and Antiaromaticity Control the Reactivities and π-Facial Stereoselectivities of 5-Substituted Cyclopentadiene Diels–Alder Cycloadditions
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c10013openalex-snapshot
1,3-Dipolar Cycloadditions by a Unified Perspective Based on Conceptual and Thermodynamics Models of Chemical Reactivity
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c03234openalex-snapshot
Computational Study on Radical-Mediated Thiol-Epoxy Reactions
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b00194openalex-snapshot
Role of Encapsulated Metal Cation in the Reactivity and Regioselectivity of the C60 Diels–Alder Reaction
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b07975openalex-snapshot
A Reaction Valley Investigation of the Cycloaddition of 1,3-Dipoles with the Dipolarophiles Ethene and Acetylene: Solution of a Mechanistic Puzzle
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b10231openalex-snapshot
Theoretical Study on the Reactivity and Regioselectivity of the Diels–Alder Reaction of Fullerene: Effects of Charges and Encapsulated Lanthanum on the Bis-Functionalization of C 70
inferred← citeshttps://doi.org/10.1021/acs.orglett.3c01396openalex-snapshot
[3 + 2] Cycloadditions of Tertiary Amine N-Oxides and Silyl Imines as an Innovative Route to 1,2-Diamines
inferred← citeshttps://doi.org/10.1021/acs.orglett.3c02265openalex-snapshot
Orthogonal Inverse-Electron-Demand Cycloaddition Reactions Controlled by Frontier Molecular Orbital Interactions
inferred← citeshttps://doi.org/10.1021/acs.orglett.7b02064openalex-snapshot
Theoretical Analysis of the Retro-Diels–Alder Reactivity of Oxanorbornadiene Thiol and Amine Adducts
inferred← citeshttps://doi.org/10.1021/acsomega.0c03210openalex-snapshot
Quantitative Dynamics of the N2O + C2H2 → Oxadiazole Reaction: A Model for 1,3-Dipolar Cycloadditions
inferred← citeshttps://doi.org/10.1021/acsomega.3c07367openalex-snapshot
Kinetics of N 2 Release from Diazo Compounds: A Combined Machine Learning-Density Functional Theory Study
inferred← citeshttps://doi.org/10.1021/acsomega.8b02213openalex-snapshot
Performance of Density-Functional Tight-Binding in Comparison to Ab Initio and First-Principles Methods for Isomer Geometries and Energies of Glucose Epimers in Vacuo and Solution
inferred← citeshttps://doi.org/10.1021/cr500488popenalex-snapshot
Theoretical Chemical Kinetics in Tropospheric Chemistry: Methodologies and Applications
inferred← citeshttps://doi.org/10.1021/ct200293wopenalex-snapshot
Extraordinary Difference in Reactivity of Ozone (OOO) and Sulfur Dioxide (OSO): A Theoretical Study
inferred← citeshttps://doi.org/10.1021/ja300002kopenalex-snapshot
Causation in a Cascade: The Origins of Selectivities in Intramolecular Nitrone Cycloadditions
inferred← citeshttps://doi.org/10.1021/ja3000936openalex-snapshot
Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry
inferred← citeshttps://doi.org/10.1021/ja309241eopenalex-snapshot
Control and Design of Mutual Orthogonality in Bioorthogonal Cycloadditions
inferred← citeshttps://doi.org/10.1021/ja407737dopenalex-snapshot
Isomeric Cyclopropenes Exhibit Unique Bioorthogonal Reactivities
inferred← citeshttps://doi.org/10.1021/ja407885hopenalex-snapshot
Nucleophilicity Parameters of Pyridinium Ylides and Their Use in Mechanistic Analyses
inferred← citeshttps://doi.org/10.1021/ja408437uopenalex-snapshot
Diels–Alder Reactivities of Strained and Unstrained Cycloalkenes with Normal and Inverse-Electron-Demand Dienes: Activation Barriers and Distortion/Interaction Analysis
inferred← citeshttps://doi.org/10.1021/ja410225uopenalex-snapshot
Diels–Alder Reactions of Graphene: Computational Predictions of Products and Sites of Reaction
inferred← citeshttps://doi.org/10.1021/ja505240eopenalex-snapshot
Why Bistetracenes Are Much Less Reactive Than Pentacenes in Diels–Alder Reactions with Fullerenes
inferred← citeshttps://doi.org/10.1021/ja505569aopenalex-snapshot
Theoretical Elucidation of the Origins of Substituent and Strain Effects on the Rates of Diels–Alder Reactions of 1,2,4,5-Tetrazines
inferred← citeshttps://doi.org/10.1021/jacs.2c05648openalex-snapshot
Photoinduced Oxygen Transfer Using Nitroarenes for the Anaerobic Cleavage of Alkenes
inferred← citeshttps://doi.org/10.1021/jacs.2c13872openalex-snapshot
One-Bond-Nucleophilicity and -Electrophilicity Parameters: An Efficient Ordering System for 1,3-Dipolar Cycloadditions
inferred← citeshttps://doi.org/10.1021/jacs.5b00014openalex-snapshot
Molecular Dynamics of the Diels–Alder Reactions of Tetrazines with Alkenes and N2Extrusions from Adducts
inferred← citeshttps://doi.org/10.1021/jacs.5b06656openalex-snapshot
Transannular [6 + 4] and Ambimodal Cycloaddition in the Biosynthesis of Heronamide A
inferred← citeshttps://doi.org/10.1021/jacs.7b02966openalex-snapshot
Mechanisms and Origins of Periselectivity of the Ambimodal [6 + 4] Cycloadditions of Tropone to Dimethylfulvene
inferred← citeshttps://doi.org/10.1021/jacs.7b12137openalex-snapshot
Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions
inferred← citeshttps://doi.org/10.1021/jacs.8b09995openalex-snapshot
Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes
inferred← citeshttps://doi.org/10.1021/jacs.8b11465openalex-snapshot
Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions
inferred← citeshttps://doi.org/10.1021/jacs.9b07729openalex-snapshot
Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides
inferred← citeshttps://doi.org/10.1021/jo300614kopenalex-snapshot
Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels–Alder Reactions of o-Chloranil and Styrenes
inferred← citeshttps://doi.org/10.1021/jo301267bopenalex-snapshot
Alkene Distortion Energies and Torsional Effects Control Reactivities, and Stereoselectivities of Azide Cycloadditions to Norbornene and Substituted Norbornenes
inferred← citeshttps://doi.org/10.1021/jo301731vopenalex-snapshot
Beyond Frontier Molecular Orbital Theory: A Systematic Electron Transfer Model (ETM) for Polar Bimolecular Organic Reactions
inferred← citeshttps://doi.org/10.1021/jo401482bopenalex-snapshot
Selectivities of Multicomponent [4 + 2]/[3 + 2] Cycloadditions of 3-Nitroindole with Substituted Alkenes: A DFT Analysis
inferred← citeshttps://doi.org/10.1021/ol502780wopenalex-snapshot
Why Alkynyl Substituents Dramatically Accelerate Hexadehydro-Diels–Alder (HDDA) Reactions: Stepwise Mechanisms of HDDA Cycloadditions
inferred← citeshttps://doi.org/10.1038/s41598-017-05708-zopenalex-snapshot
Activation of Dinitrogen as A Dipolarophile in 1,3-Dipolar Cycloadditions: A Theoretical Study Using Nitrile Imines as “Octet” 1,3-Dipoles
inferred← citeshttps://doi.org/10.1038/s41598-021-88060-7openalex-snapshot
Theoretical insight on the treatment of β-hexachlorocyclohexane waste through alkaline dehydrochlorination
inferred← citeshttps://doi.org/10.1039/c2cp42300fopenalex-snapshot
The reaction of Criegee intermediates with NO, RO2, and SO2, and their fate in the atmosphere
inferred← citeshttps://doi.org/10.1039/c2cs35070jopenalex-snapshot
Theoretical studies of atmospheric reaction mechanisms in the troposphere
inferred← citeshttps://doi.org/10.1039/c2oc90017copenalex-snapshot
Reaction mechanisms: pericyclic reactions
inferred← citeshttps://doi.org/10.1039/c2ra21592fopenalex-snapshot
Click-chemistry approach to azacycloalkene monosulfonyl diamines: synthesis and computational analysis of the reaction mechanism
inferred← citeshttps://doi.org/10.1039/c3cp52863dopenalex-snapshot
New insights into 1,2,4-trioxolane stability and the crucial role of ozone in promoting polymer degradation
inferred← citeshttps://doi.org/10.1039/c3cp54514hopenalex-snapshot
The reactions of Criegee intermediates with alkenes, ozone, and carbonyl oxides
inferred← citeshttps://doi.org/10.1039/c3sc52882kopenalex-snapshot
Distortion-accelerated cycloadditions and strain-release-promoted cycloreversions in the organocatalytic carbonyl-olefin metathesis
inferred← citeshttps://doi.org/10.1039/c5ra14071dopenalex-snapshot
An experimental and theoretical study on the regioselective synthesis of a new class of spiropyrrolothiazoles with quinoxaline motifs via a 1,3-dipolar cycloaddition reaction. An evaluation of DFT methods
inferred← citeshttps://doi.org/10.1039/c6nj00557hopenalex-snapshot
Metal-free homolytic hydrogen activation: a quest through density functional theory computations
inferred← citeshttps://doi.org/10.1039/c6ob00815aopenalex-snapshot
A mechanistic insight into the effect of piperidine as an organocatalyst on the [3 + 2] cycloaddition reaction of benzalacetone with phenyl azide from a computational study
inferred← citeshttps://doi.org/10.1039/c7ob00429jopenalex-snapshot
New mechanistic interpretations for nitrone reactivity
inferred← citeshttps://doi.org/10.1039/c7qo00288bopenalex-snapshot
Organocopper triggered cyclization of conjugated dienynes via tandem S N 2′/Alder-ene reaction
inferred← citeshttps://doi.org/10.1039/c8cc02128gopenalex-snapshot
Origins of halogen effects in bioorthogonal sydnone cycloadditions
inferred← citeshttps://doi.org/10.1039/c8cp02284dopenalex-snapshot
Effect of the exchange–correlation functional on the synchronicity/nonsynchronicity in bond formation in Diels–Alder reactions: a reaction force constant analysis
inferred← citeshttps://doi.org/10.1039/c9cp00473dopenalex-snapshot
Identification of the Criegee intermediate reaction network in ethylene ozonolysis: impact on energy conversion strategies and atmospheric chemistry
inferred← citeshttps://doi.org/10.1039/d0sc02243hopenalex-snapshot
Ring-opening carbonyl–olefin metathesis of norbornenes
inferred← citeshttps://doi.org/10.1039/d0sc04553eopenalex-snapshot
The simplest Diels–Alder reactions are not endo -selective
inferred← citeshttps://doi.org/10.1039/d0sc06628aopenalex-snapshot
Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones
inferred← citeshttps://doi.org/10.1039/d2cp02234fopenalex-snapshot
Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance
inferred← citeshttps://doi.org/10.1039/d2ob02311copenalex-snapshot
Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study
inferred← citeshttps://doi.org/10.1039/d4ob01904kopenalex-snapshot
Origins of the substituent effects in the aldol condensation of axially chiral thiohydantoins: a computational study
inferred← citeshttps://doi.org/10.1039/d6cp00088fopenalex-snapshot
Generation and benchmarking of a diverse reaction database of quantum mechanical liquid-phase activation Gibbs free energies
inferred← citeshttps://doi.org/10.1055/s-0042-1751443openalex-snapshot
Photoexcited Nitroarenes as Anaerobic Oxygen Atom Transfer Reagents
inferred← citeshttps://doi.org/10.1080/13647830.2021.1991596openalex-snapshot
PAH growth assisted by five-membered ring: pyrene formation from acenaphthylene
inferred← citeshttps://doi.org/10.1111/php.12509openalex-snapshot
Selective Activation of C=C Bond in Sustainable Phenolic Compounds from Lignin via Photooxidation: Experiment and Density Functional Theory Calculations
inferred← citeshttps://doi.org/10.1134/s0036024416010337openalex-snapshot
Quantum chemical insight into the reactivity of 1,3-dipoles on coronene as model for nanographenes
inferred← citeshttps://doi.org/10.1177/1468678319845863openalex-snapshot
Understanding the mechanism of the 1,3-dipolar cycloaddition reaction between a thioformaldehyde S-oxide and cyclobutadiene: Competition between the stepwise and concerted routes
inferred← citeshttps://doi.org/10.1186/s13065-016-0163-2openalex-snapshot
Regioselectivity of 1,3-dipolar cycloadditions and antimicrobial activity of isoxazoline, pyrrolo[3,4-d]isoxazole-4,6-diones, pyrazolo[3,4-d]pyridazines and pyrazolo[1,5-a]pyrimidines
inferred← citeshttps://doi.org/10.17760/d20486928openalex-snapshot
Mechanistic analysis of strain-promoted cycloadditions and HOR/HER reactions with quantum mechanical calculations
inferred← citeshttps://doi.org/10.2174/1570178619666220113113638openalex-snapshot
A Theoretical Evaluation of the Behavior of Nitrosoamidine upon Reacting with Methoxy Butadiene as Potential Heterodiene or Heterodienophile
inferred← citeshttps://doi.org/10.3390/molecules21111551openalex-snapshot
Biogenesis of Triterpene Dimers from Orthoquinones Related to Quinonemethides: Theoretical Study on the Reaction Mechanism
inferred← citeshttps://doi.org/10.3390/molecules23102505openalex-snapshot
Biosynthesis of Grandione: An Example of Tandem Hetero Diels-Alder/Retro-Claisen Rearrangement Reaction?
inferred← citeshttps://doi.org/10.3762/bjoc.9.275openalex-snapshot
A one-pot synthesis of 3-trifluoromethyl-2-isoxazolines from trifluoromethyl aldoxime
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