Literature DB >> 23452442

Energy disposition in reactive intermediates.

Barry K Carpenter1.   

Abstract

Year:  2013        PMID: 23452442     DOI: 10.1021/cr300511u

Source DB:  PubMed          Journal:  Chem Rev        ISSN: 0009-2665            Impact factor:   60.622


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  6 in total

1.  The role of NH3 and hydrocarbon mixtures in GaN pseudo-halide CVD: a quantum chemical study.

Authors:  Oleg B Gadzhiev; Peter G Sennikov; Alexander I Petrov; Krzysztof Kachel; Sebastian Golka; Daniela Gogova; Dietmar Siche
Journal:  J Mol Model       Date:  2014-10-15       Impact factor: 1.810

2.  Electronic Character of α,3-Dehydrotoluene Intermediates Generated from Isolable Allenyne-Containing Substrates.

Authors:  Qian Xu; Thomas R Hoye
Journal:  Angew Chem Int Ed Engl       Date:  2022-08-29       Impact factor: 16.823

3.  The full dynamics of energy relaxation in large organic molecules: from photo-excitation to solvent heating.

Authors:  Vytautas Balevičius; Tiejun Wei; Devis Di Tommaso; Darius Abramavicius; Jürgen Hauer; Tomas Polívka; Christopher D P Duffy
Journal:  Chem Sci       Date:  2019-04-02       Impact factor: 9.825

4.  Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C-H bonds of stereogenic centers.

Authors:  Sarah N Dishman; Croix J Laconsay; James C Fettinger; Dean J Tantillo; Jared T Shaw
Journal:  Chem Sci       Date:  2021-12-20       Impact factor: 9.825

5.  Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry.

Authors:  Riccardo Petraglia; Adrien Nicolaï; Matthew D Wodrich; Michele Ceriotti; Clemence Corminboeuf
Journal:  J Comput Chem       Date:  2015-07-31       Impact factor: 3.376

6.  Tipping the balance: theoretical interrogation of divergent extended heterolytic fragmentations.

Authors:  Croix J Laconsay; Ka Yi Tsui; Dean J Tantillo
Journal:  Chem Sci       Date:  2020-01-09       Impact factor: 9.825

  6 in total

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