Results 231 to 240 of about 27,432 (257)
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Enhancing computer‐assisted structure elucidation with DFT analysis of J‐couplings
Magnetic Resonance in Chemistry, 2020AbstractComputer‐assisted structure elucidation (CASE) is the class of expert systems that derives molecular structures primarily from one‐dimensional and two‐dimensional nuclear magnetic resonance data. Contemporary CASE systems, including Advanced Chemistry Development/Structure Elucidator (ACD/SE), consider cross‐peaks in heteronuclear multiple bond
Alexei V. Buevich, Mikhail E. Elyashberg
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Computer assisted structure elucidation
Analytica Chimica Acta, 1987Neil A.B. Gray, Albert Platt
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ChemInform, 2008
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
M. E. Elyashberg +2 more
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AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
M. E. Elyashberg +2 more
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The dendral project: recent advances in computer- assisted structure elucidation
Analytica Chimica Acta, 1981Abstract Recent advances in the DENDRAL Project on computer-assisted approaches to structure elucidation are reviewed. Important developments include: (1) novel approaches to constrained generation of constitutional isomers to obtain structural candidates for an unknown; (2) the first solution to the problem of exhaustive generation of ...
Dennis H. Smith +3 more
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Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation
2011Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve
Mikhail E Elyashberg +2 more
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ChemInform Abstract: Computer‐Assisted Structure Elucidation for Organic Compounds
ChemInform, 1993AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
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Incorporation of 4J-HMBC and NOE Data into Computer-Assisted Structure Elucidation with WebCocon
Molecules, 2021Matthias Köck +2 more
exaly