Search Results - "Rosenberg, Robert E"
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Cooperativity and intermolecular hydrogen bonding in donor‐acceptor complexes of phenol and polyhydroxybenzenes
Published in Journal of physical organic chemistry (01-07-2023)“…Cooperativity between intermolecular and intramolecular hydrogen bonds is an important factor determining the strength of donor‐acceptor complexes. Its impact…”
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Can 2‑X-Ethanols Form Intramolecular Hydrogen Bonds?
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05-09-2019)“…For 2-X-ethanols, where X = F, OH, or NH2, the gauche conformer is favored over the trans conformer by at least 2 kcal/mol. Initially, this preference, ΔE, was…”
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The Strength of Hydrogen Bonds between Fluoro-Organics and Alcohols, a Theoretical Study
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10-05-2018)“…Fluorinated organic compounds are ubiquitous in the pharmaceutical and agricultural industries. To better discern the mode of action of these compounds, it is…”
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Microsolvation of Fluoromethane
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29-09-2016)“…Fluorinated organic compounds are ubiquitous in the pharmaceutical and agricultural industries. To better discern the mode of action of these compounds, it is…”
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Does Fluoromethane Form a Hydrogen Bond with Water?
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08-11-2012)“…Fluorinated organic compounds have become increasingly important in the pharmaceutical and agricultural industries. However, even the simplest aspects of these…”
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Cooperativity and topological hydrogen bonding in aromatic diol complexes
Published in Journal of physical organic chemistry (01-02-2024)“…Complexes of three aromatic diols, catechol, naphthalene‐1,8‐diol, and fluorene‐4,5‐diol, with a series of hydrogen bond acceptors (HBAs) that have oxygen,…”
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Cooperativity in a cycloalkane‐1,2/1,3‐polyol corona: Topological hydrogen bonding in 1,2‐diol motifs
Published in Magnetic resonance in chemistry (01-10-2020)“…A corona, consisting of 18 carbon atoms bearing 12 hydroxy groups in a continuous hydrogen‐bonded chain, is built up by alternating degenerate conformations of…”
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Approximating the Strength of the Intramolecular Hydrogen Bond in 2‑Fluorophenol and Related Compounds: A New Application of a Classic Technique
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14-05-2020)“…Fluorinated organic compounds are ubiquitous in the pharmaceutical and agricultural industries. To better discern the mode of action of these compounds, it is…”
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Felkin-Anh is not enough
Published in Journal of physical organic chemistry (01-01-2015)“…The understanding of the electronic effects of the diastereoselective addition of a nucleophile to a polar substituted aldehyde or ketone is not complete, with…”
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A Guided-Inquiry Approach to the Sodium Borohydride Reduction and Grignard Reaction of Carbonyl Compounds
Published in Journal of chemical education (01-09-2007)“…The guided-inquiry approach is applied to the reactions of sodium borohydride and phenyl magnesium bromide with benzaldehyde, benzophenone, benzoic anhydride,…”
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Enols and Enolates of Carboxylic Acid Derivatives. A G2(MP2) ab Initio Study
Published in Journal of organic chemistry (07-08-1998)“…The effect of substituents on the stability of enols and enolates relative to their oxo (CO) forms is explored using the G2(MP2) ab initio method for CH3COX…”
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Hydride Affinities of Carbonyl Compounds. An ab Initio Study
Published in Journal of the American Chemical Society (01-10-1995)Get full text
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Butadiene. 1. A normal coordinate analysis and infrared intensities. Structure of the second rotamer
Published in Journal of the American Chemical Society (01-02-1990)Get full text
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Diastereoselectivity of Enolate Anion Protonation. Reaction of HCN with the Enolate of 3-Fluorobutanoic Acid. An ab Initio Molecular Orbital Study
Published in Journal of the American Chemical Society (22-01-1997)“…The protonation of the enolate of 3-fluorobutanoic acid by hydrogen cyanide was chosen as a suitable computational model for the H/D exchange reaction of ethyl…”
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Diastereoselectivity of Enolate Anion Protonation. H/D Exchange of β-Substituted Ethyl Butanoates in Ethanol-d
Published in Journal of the American Chemical Society (22-01-1997)“…The stereochemistry of base-catalyzed H/D exchange on 13 β-substituted ethyl butanoates in ethanol-d has been studied in order to analyze the steric and…”
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Diastereoselectivity in the Protonation of Ester Enolates. The Importance of Aggregation with LDA
Published in Journal of organic chemistry (01-06-1995)Get full text
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Infrared intensities: cyclobutene. A normal-coordinate analysis and comparison with cyclopropene
Published in Journal of physical chemistry (1952) (01-10-1992)Get full text
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Infrared intensities: bicyclo[1.1.1]pentane. A normal-coordinate analysis and comparison with [1.1.1]propellane
Published in Journal of physical chemistry (1952) (01-10-1992)Get full text
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