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ACS Earth & Space Chemistry|July 24, 2024
Ethynyl Radical Hydrogen Abstraction Energetics and Kinetics Utilizing High-Level TheoryLaura N Olive, Alexandra D Heide, Justin M Turney, et al.
Journal of Computational Chemistry|October 30, 2015
Catenanes: A molecular mechanics analysis of the (C13H26)2 Structure 13-13 D2Jenn-Huei Lii, Norman L Allinger, Ching-Han Hu, et al.
Molecular Phylogenetics and Evolution|July 27, 2013
Contrasting phylogeographic histories between broadly sympatric topminnows in the Fundulus notatus species complexDavid D Duvernell, Stephanie L Meier, Jacob F Schaefer, et al.
The Journal of Chemical Physics|May 17, 2014
An efficient algorithm for multipole energies and derivatives based on spherical harmonics and extensions to particle mesh EwaldAndrew C Simmonett, Frank C Pickard, Henry F Schaefer, et al.
The Journal of Chemical Physics|September 8, 2019
Riddles of the structure and vibrational dynamics of HO3 resolved near the ab initio limitMarcus A Bartlett, Arianna H Kazez, Henry F Schaefer, et al.
The Journal of Physical Chemistry Letters|March 25, 2021
Arbitrary-Order Derivatives of Quantum Chemical Methods via Automatic DifferentiationAdam S Abbott, Boyi Z Abbott, Justin M Turney, et al.
The Journal of Physical Chemistry. A|March 6, 2018
Carbon-Hydrogen Activation in Zerovalent Bis(1,5-cyclooctadiene) Complexes of the First Row Transition Metals: A Theoretical StudyJia Hu, Hao Feng, Yaoming Xie, et al.
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