Search Results - "Abbott, Adam"

The Structure and Cl-O Dissociation Energy of the ClOO Radical: Finally, the Right Answers for the Right Reason.

Authors: Abbott, Adam S. Schaefer III, Henry F.

Source: Journal of Physical Chemistry A. 3/8/2018, Vol. 122 Issue 9, p2604-2610. 7p.

Subjects: Radicals, Chlorine, Peroxy radicals, Ab initio quantum chemistry methods, Geometry, Electrons

Reinterpretation of the electronic absorption spectrum of the methylene amidogen radical (H2CN).

Authors: Abbott, Adam S. Glick, Zach L. Schaefer III, Henry F.

Source: Journal of Chemical Physics. 9/7/2018, Vol. 149 Issue 9, p1-8. 8p.

Customized Plant Growth Promotion with Soil- and Cultivar-Compatible Microbial Biofertilizers.

Authors: Schenk, Peer M. Batool, Maria Mirzaee, Hooman et al.

Source: Agronomy. Sep2024, Vol. 14 Issue 9, p1915. 16p.

Characterization of the 2-methylvinoxy radical + O2 reaction: A focal point analysis and composite multireference study.

Authors: Davis, Matthew M. Weidman, Jared D. Abbott, Adam S. et al.

Source: Journal of Chemical Physics. 9/28/2019, Vol. 151 Issue 12, pN.PAG-N.PAG. 19p. 16 Diagrams, 9 Charts.

Arbitrary-Order Derivatives of Quantum Chemical Methods via Automatic Differentiation.

Authors: Abbott AS Abbott BZ Turney JM et al.

Source: The journal of physical chemistry letters [J Phys Chem Lett] 2021 Apr 01; Vol. 12 (12), pp. 3232-3239. Date of Electronic Publication: 2021 Mar 25.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101526034 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1948-7185 (Electronic) Linking ISSN: 19487185 NLM ISO Abbreviation: J Phys Chem Lett Subsets: MEDLINE; PubMed not MEDLINE

The addition of methanol to Criegee intermediates.

Authors: Aroeira GJR Abbott AS Elliott SN et al.

Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2019 Aug 28; Vol. 21 (32), pp. 17760-17771. Date of Electronic Publication: 2019 Aug 01.

Publication Type: Journal Article

Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces.

Authors: Abbott AS Turney JM Zhang B et al.

Source: Journal of chemical theory and computation [J Chem Theory Comput] 2019 Aug 13; Vol. 15 (8), pp. 4386-4398. Date of Electronic Publication: 2019 Jul 08.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE; PubMed not MEDLINE

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

Authors: Smith DGA Burns LA Sirianni DA et al.

Source: Journal of chemical theory and computation [J Chem Theory Comput] 2018 Jul 10; Vol. 14 (7), pp. 3504-3511. Date of Electronic Publication: 2018 Jun 11.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: PubMed not MEDLINE

Radicals derived from acetaldehyde and vinyl alcohol.

Authors: Estep ML Morgan WJ Winkles AT et al.

Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2017 Oct 18; Vol. 19 (40), pp. 27275-27287.

Publication Type: Journal Article

Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Print Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: PubMed not MEDLINE