Contact and support
Need help, have a question, or want to contact the ResearchHub team?
© 2026 ResearchHub. Built for responsible scholarly connection.
Privacy-aware community infrastructureResearch graph
References from Quantitative Dynamics of the N2O + C2H2 → Oxadiazole Reaction: A Model for 1,3-Dipolar Cycloadditions. Local targets link to admitted publications; unresolved targets remain external evidence.
Kinetics and Mechanism of 1,3-Dipolar Cycloadditions
10.1002/anie.196306331 · 1963 · External reference
Regioselectivity and reactivity in the 1,3-dipolar cycloadditions of diazonium betaines (diazoalkanes, azides, and nitrous oxide)
10.1021/ja00780a077 · 1972 · External reference
Frontier molecular orbitals of 1,3 dipoles and dipolarophiles
10.1021/ja00803a017 · 1973 · External reference
Unresolved reference
1984 · External reference
Asymmetric 1,3-Dipolar Cycloaddition Reactions
10.1021/cr970324e · 1998 · External reference
10.1002/0471221902
10.1002/0471221902 · 2002 · External reference
Does Nature Click? Theoretical Prediction of an Enzyme-Catalyzed Transannular 1,3-Dipolar Cycloaddition in the Biosynthesis of Lycojaponicumins A and B
10.1021/ja409928z · 2013 · External reference
Recent Advances of Catalytic Asymmetric 1,3-Dipolar Cycloadditions
10.1021/cr5007182 · 2015 · External reference
Click Chemistry: Diverse Chemical Function from a Few Good Reactions
10.1002/1521-3773(20010601)40:11<2004::aid-anie2004>3.0.co;2-5 · 2001 · External reference
Mechanism of 1,3-dipolar cycloadditions
10.1021/jo01270a023 · 1968 · External reference
Stereospecificity of 1,3-dipolar cycloadditions of p-nitrobenzonitrile oxide to cis- and trans-dideuterioethylene
10.1021/ja00310a105 · 1985 · External reference
The first two-step 1,3-dipolar cycloadditions: interception of intermediate
10.1021/jo00371a039 · 1986 · External reference
Mechanism and Stereoselectivity of the Stepwise 1,3-Dipolar Cycloadditions between a Thiocarbonyl Ylide and Electron-Deficient Dipolarophiles: A Computational Investigation
10.1021/ja108432b · 2010 · External reference
Ambimodal Dipolar/Diels–Alder Cycloaddition Transition States Involving Proton Transfers
10.1021/jacs.8b11080 · 2018 · External reference
Molecular dynamics of the intramolecular 1, 3-dipolar ene reaction of a nitrile oxide and an alkene: non-statistical behavior of a reaction involving a diradical intermediate
10.1080/00268976.2018.1549338 · 2019 · External reference
A simple model for substituent effects in cycloaddition reactions. I. 1,3-dipolar cycloadditions
10.1016/s0040-4039(01)96961-8 · 1971 · External reference
Origin of reactivity, regioselectivity, and periselectivity in 1,3-dipolar cycloadditions
10.1021/ja00803a018 · 1973 · External reference
Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity
10.1021/ja0734086 · 2007 · External reference
Theory of 1,3-dipolar cycloadditions: Distortion/interaction and frontier molecular orbital models
10.1021/ja800009z · 2008 · External reference
Nitrous oxide as a 1,3-dipole: a theoretical study of its cycloaddition mechanism
10.1021/jo015685f · 2001 · External reference
A theoretical approach to the regioselectivity in 1,3-dipolar cycloadditions of diazoalkanes, hydrazoic acid and nitrous oxide to acetylenes, phosphaalkynes and cyanides
10.1002/poc.653 · 2003 · External reference
Dynamics of 1,3-dipolar cycloaddition reactions of diazonium betaines to acetylene and ethylene: Bending vibrations facilitate reaction
10.1002/anie.200805906 · 2009 · External reference
Dynamics of 1,3-Dipolar Cycloadditions: Energy Partitioning of Reactants and Quantitation of Synchronicity
10.1021/ja909372f · 2010 · External reference
Transition State Analysis Bent out of shape
10.1038/nchem.193 · 2009 · External reference
What Controls the Reactivity of 1,3-Dipolar Cycloadditions?
10.1002/anie.200902263 · 2009 · External reference
Nonstatistical Dynamics in Thermal Reactions of Polyatomic Molecules
10.1146/annurev.physchem.56.092503.141240 · 2005 · External reference
Dynamics and the Failure of Transition State Theory in Alkene Hydroboration
10.1021/ja807666d · 2009 · External reference
The Need for Enzymatic Steering in Abietic Acid Biosynthesis: Gas-Phase Chemical Dynamics Simulations of Carbocation Rearrangements on a Bifurcating Potential Energy Surface
10.1021/ja201730y · 2011 · External reference
Dynamics, transition states, and timing of bond formation in Diels-Alder reactions
10.1073/pnas.1209316109 · 2012 · External reference
A Reaction Valley Investigation of the Cycloaddition of 1,3-Dipoles with the Dipolarophiles Ethene and Acetylene: Solution of a Mechanistic Puzzle
10.1021/acs.jpca.6b07975 · 2016 · External reference
Imaging dynamic fingerprints of competing E2 and SN2 reactions
10.1038/s41467-017-00065-x · 2017 · External reference
Direct Chemical Dynamics Simulations
10.1021/jacs.6b12017 · 2017 · External reference
Stretching vibration is a spectator in nucleophilic substitution
10.1126/sciadv.aas9544 · 2018 · External reference
The Dynamics of Chemical Reactions: Atomistic Visualizations of Organic Reactions, and Homage to van’t Hoff
10.1002/chem.201706032 · 2018 · External reference
Unexpected Indirect Dynamics in Base-Induced Elimination
10.1021/jacs.9b10575 · 2019 · External reference
Potential energy surfaces from high fidelity fitting of ab initio points: the permutation invariant polynomial - neural network approach
10.1080/0144235x.2016.1200347 · 2016 · External reference
Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems
10.1063/1.4832697 · 2013 · External reference
Permutation invariant polynomial neural network approach to fitting potential energy surfaces
10.1063/1.4817187 · 2013 · External reference
A simple and efficient CCSD(T)-F12 approximation
10.1063/1.2817618 · 2007 · External reference
Simplified CCSD(T)-F12 methods: Theory and benchmarks
10.1063/1.3054300 · 2009 · External reference
On the choice of the ab initio level of theory for potential energy surface developments
10.1021/jp411652u · 2014 · External reference
Molpro: a general-purpose quantum chemistry program package
10.1002/wcms.82 · 2012 · External reference
Unresolved reference
External reference
Feshbach resonances in the exit channel of the F + CH3OH -> HF + CH3O reaction observed using transition-state spectroscopy
10.1038/nchem.2804 · 2017 · External reference
Kinetics and dynamics of the C(P3) + H2O reaction on a full-dimensional accurate triplet state potential energy surface
10.1039/c7cp04578f · 2017 · External reference
Quasi-classical trajectory studies on the full-dimensional accurate potential energy surface for the OH + H2O = H2O + OH reaction
10.1039/c7cp02656k · 2017 · External reference
Anomalous kinetics of the reaction between OH and HO2 on an accurate triplet state potential energy surface
10.1039/c9cp01553a · 2019 · External reference
Comprehensive Dynamical Investigations on the Cl + CH3OH → HCl + CH3O/CH2OH Reaction: Validation of Experiment and Dynamical Insights
10.31635/ccschem.020.202000195 · 2020 · External reference
Permutationally invariant polynomial basis for molecular energy surface fitting via monomial symmetrization
10.1021/ct9004917 · 2010 · External reference
High-dimensional ab initio potential energy surfaces for reaction dynamics calculations
10.1039/c0cp02722g · 2011 · External reference
Permutationally Invariant Potential Energy Surfaces
10.1146/annurev-physchem-050317-021139 · 2018 · External reference
Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 -> H2O + CH3 reaction
10.1063/1.4937570 · 2015 · External reference
Vectorization of the general Monte Carlo classical trajectory program VENUS
10.1002/jcc.540120814 · 1991 · External reference
Reactive scattering cross sections III: quasiclassical and semiclassical methods
10.1007/978-1-4613-2913-8_16 · 1979 · External reference
Classical Trajectory Simulations: Initial Conditions
1998 · External reference
Quantum Mechanical Continuum Solvation Models
10.1021/cr9904009 · 2005 · External reference
Reactant vibrational excitations are more effective than translational energy in promoting an early-barrier reaction F + H2O → HF + OH
10.1021/ja311159j · 2013 · External reference
Mode Specificity in the OH + HO2 -> H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode
10.1021/jacs.9b12467 · 2020 · External reference
Feshbach resonances in the F + H2O → HF + OH reaction
10.1038/s41467-019-14097-y · 2020 · External reference
Zero-point energy conservation in classical trajectory simulations: Application to H2CO
10.1063/1.5023508 · 2018 · External reference
Computational Methods To Calculate Accurate Activation and Reaction Energies of 1,3-Dipolar Cycloadditions of 24 1,3-Dipoles
10.1021/jp207563h · 2011 · External reference
Mechanisms and Dynamics of Reactions Involving Entropic Intermediates
10.1016/j.trechm.2019.01.009 · 2019 · External reference
Vibrational state control of bimolecular reactions: Discovering and directing the chemistry
10.1021/ar950046a · 1999 · External reference
Bond-selected chemistry: vibrational state control of photodissociation and bimolecular reaction
10.1021/jp9604812 · 1996 · External reference
Vibrational Control of Bimolecular Reactions with Methane by Mode, Bond, and Stereo Selectivity
10.1146/annurev-physchem-040215-112522 · 2016 · External reference
State-resolve probes of methane dissociation dynamics
10.1016/j.progsurf.2009.01.001 · 2009 · External reference
Quantum State–Resolved Studies of Chemisorption Reactions
10.1146/annurev-physchem-052516-044910 · 2017 · External reference
Classical trajectory simulations of post-transition state dynamics
10.1080/01442350802045446 · 2008 · External reference
Prediction of mode specificity in 1,3-dipolar cycloadditions using the Sudden Vector Projection model
10.1016/j.cplett.2015.02.027 · 2015 · External reference
The sudden vector projection model: Mode specificity and bond selectivity made easy
10.1021/ar500350f · 2014 · External reference
Dynamics of Carbene Cycloadditions
10.1021/ja207051b · 2011 · External reference
Dynamics of Bimolecular Reactions in Solution
10.1146/annurev-physchem-040214-121654 · 2015 · External reference
