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Works (13)

The multichannel i-propyl + O2 reaction system: A model of secondary alkyl radical oxidation

The Journal of Chemical Physics
2023-07-14 | Journal article
DOI: 10.1063/5.0156705
Contributors: Mitchell E. Lahm; Marcus A. Bartlett; Tao Liang; Liang Pu; Wesley D. Allen; Henry F. Schaefer
Source: check_circle
Crossref

Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP02234F
Contributors: Pascal Vermeeren; Marco Dalla Tiezza; Mark E. Wolf; Mitchell E. Lahm; Wesley D. Allen; Henry F. Schaefer; Trevor A. Hamlin; F. Matthias Bickelhaupt
Source: check_circle
Crossref

Identification and Reactivity of s-cis,s-cis-Dihydroxycarbene, a New [CH2O2] Intermediate

Journal of the American Chemical Society
2020-11-18 | Journal article
DOI: 10.1021/jacs.0c09317
Part of ISSN: 0002-7863
Part of ISSN: 1520-5126
Source: Self-asserted source
Wesley Allen

Reaction Profiles and Kinetics for Radical–Radical Hydrogen Abstraction via Multireference Coupled Cluster Theory

Journal of Chemical Theory and Computation
2020-03-10 | Journal article
DOI: 10.1021/acs.jctc.9b00966
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Source: Self-asserted source
Wesley Allen

Wigner numbers

The Journal of Chemical Physics
2019-12-28 | Journal article
DOI: 10.1063/1.5135721
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Wesley Allen
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Riddles of the structure and vibrational dynamics of HO3 resolved near the ab initio limit

The Journal of Chemical Physics
2019-09-07 | Journal article
DOI: 10.1063/1.5110291
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Wesley Allen
grade
Preferred source (of 2)‎

Most favorable cumulenic structures in iron-capped linear carbon chains are short singlet odd-carbon dications: a theoretical view

Physical Chemistry Chemical Physics
2018 | Journal article
DOI: 10.1039/c7cp08673c
Part of ISSN: 1463-9076
Part of ISSN: 1463-9084
Source: Self-asserted source
Wesley Allen

Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives

Journal of the American Chemical Society
2018-10-31 | Journal article
DOI: 10.1021/jacs.8b09145
Part of ISSN: 0002-7863
Part of ISSN: 1520-5126
Source: Self-asserted source
Wesley Allen

Nucleophilic Influences and Origin of the S N 2 Allylic Effect

Chemistry – A European Journal
2018-08-09 | Journal article
DOI: 10.1002/chem.201801187
Part of ISSN: 0947-6539
Part of ISSN: 1521-3765
Source: Self-asserted source
Wesley Allen

A Universal Integrated Rate Equation for Chemical Kinetics

The Journal of Physical Chemistry A
2018-04-26 | Journal article
DOI: 10.1021/acs.jpca.8b02372
Part of ISSN: 1089-5639
Part of ISSN: 1520-5215
Source: Self-asserted source
Wesley Allen

Intricate Conformational Tunneling in Carbonic Acid Monomethyl Ester

The Journal of Physical Chemistry Letters
2018-04-05 | Journal article
DOI: 10.1021/acs.jpclett.8b00295
Part of ISSN: 1948-7185
Part of ISSN: 1948-7185
Source: Self-asserted source
Wesley Allen

Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde

Journal of Chemical Theory and Computation
2018-03-13 | Journal article
DOI: 10.1021/acs.jctc.7b01138
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Source: Self-asserted source
Wesley Allen

Methylhydroxycarbene: Tunneling Control of a Chemical Reaction

Science
2011-06-10 | Journal article
DOI: 10.1126/science.1203761
Part of ISSN: 0036-8075
Part of ISSN: 1095-9203
Contributors: Peter R. Schreiner; Hans Peter Reisenauer; David Ley; Dennis Gerbig; Chia-Hua Wu; Wesley D. Allen
Source: Self-asserted source
Wesley Allen
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