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List of works by Rainer Koch

1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.

scientific article published on 18 March 2004

Accurate calculated optical properties of substituted quaterphenylene nanofibers

scientific article published on 01 January 2010

An unusual reaction of the natural compound benaphthamycin B: theoretical study of a model system.

scientific article published in February 2006

Bacteriorhodopsin Enhances Efficiency of Perovskite Solar Cells

scientific article published on 15 August 2019

Formation of allenyl ketones, 3-ethynylcoumarins, and arylfurans, furylfurans, and furylthiophenes by flash vacuum thermolysis of 3-methylidenefuran-2(3H)-ones.

scientific article

IR, Raman and SERS spectral analysis and DFT calculations on the Herbicide O,S-Dimethyl phosphoramidothioate, metamidophos

scientific article published on 28 May 2013

Initiation of radical chain reactions of thiol compounds and alkenes without any added initiator: thiol-catalyzed cis/trans isomerization of methyl oleate

scientific article published on 16 May 2012

Intramolecular concerted insertion of vinyl cations into C-H bonds: hydroalkylating cyclization of alkynes with alkyl chloroformates to give cyclopentanes

scientific article published on 01 May 2006

Investigation of reactive intermediates of chemical reactions in solution by electrospray ionization mass spectrometry: radical cation chain reactions

scientific article published on 01 October 2003

Ketene-acetylene [2 + 2] cycloadditions: cyclobutenone and/or oxete formation?

scientific article

Ketene-ketene interconversion. 6-Carbonylcyclohexa-2,4-dienone-hepta-1,2,4,6-tetraene-1,7-dione-6-oxocyclohexa-2,4-dienylidene and Wolff rearrangement to fulven-6-one

scientific article published on 11 July 2014

Mechanism of the intramolecular hydroamination of alkenes catalyzed by neutral indenyltitanium complexes: a DFT study

scientific article published on 01 January 2008

Novel acyclic nitroxides for nitroxide-mediated polymerization: Kinetic, electron paramagnetic resonance spectroscopic, X-ray diffraction, and molecular modeling investigations

article

Reaction of iminopropadienones with amines: mechanistic explanations of zwitterionic intermediate, ketene and ketenimine formation.

scientific article published on 30 August 2008

Rearrangements and interconversions of heteroatom-substituted isocyanates, isothiocyanates, nitrile oxides, and nitrile sulfides, RX-NCY and RY-CNX

scientific article published on 07 July 2011

Rearrangements of acyl, thioacyl, and imidoyl (thio)cyanates to iso(thio)cyanates, acyl iso(thio)cyanates to (thio)acyl isocyanates, and imidoyl iso(thio)cyanates to (thio)acyl carbodiimides, RCX-YCN ⇌ RCX-NCY ⇌ RCY-NCX ⇌ RCY-XCN (X and Y = O, S, NR

scientific article published on 20 September 2012

Simulation of NMR chemical shifts in heterocycles: a method evaluation.

scientific article

The SAMP alkylation: A computational study ⬇️

scientific article published on 03 March 2011

Theoretical 49Ti NMR chemical shifts

scientific article published on 29 March 2006

Theoretical Group 14 Chemistry. 4. Cyclotriplumbanes:  Relativistic and Substituents Effects

scientific article published on 01 November 2005

Theoretical study of the syn and anti thiophene-2-aldehyde conformers using density functional theory and normal coordinate analysis.

scientific article published on 29 September 2006

Theoretical surface-enhanced Raman spectra study of substituted benzenes I. Density functional theoretical SERS modelling of benzene and benzonitrile.

scientific article published on 14 March 2008

Vibrational and scaled quantum chemical study of O,O-dimethyl S-methylcarbamoylmethyl phosphorodithioate, dimethoate ⬇️

scientific article published on December 22, 2011

[3,3]-Sigmatropic shifts and retro-ene rearrangements in cyanates, isocyanates, thiocyanates, and isothiocyanates of the form RX-YCN and RX-NCY

scientific article published on 06 February 2012

[Ga9(CMe3)9]*--a persistent cluster radical anion, boron-analogous chemistry with the heavier homologue gallium

scientific article published on 01 May 2003

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