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List of works by Martin Krupička

A toolchain for the automatic generation of computer codes for correlated wavefunction calculations

scientific article published on 13 June 2017

An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials

scientific article published on 01 September 2018

Combination of a binaphthol-derived phosphite and a C1-symmetric phosphinamine generates heteroleptic catalysts in Rh- and Pd-mediated reactions

scientific article published on 21 May 2009

Comparison of fully internally and strongly contracted multireference configuration interaction procedures

scientific article published in August 2016

Disfavoring Mechanochemical Reactions by Stress-Induced Steric Hindrance

scientific article

Distribution, biological activities, metabolism, and the conceivable function of cis-zeatin-type cytokinins in plants.

scientific article published on 31 January 2011

Enantioselective interaction of carbamoylated quinine and (S)-3,5-dinitrobenzoyl alanine: theoretical and experimental circular dichroism study.

scientific article published on 21 July 2010

Force-Induced Reversal of β-Eliminations: Stressed Disulfide Bonds in Alkaline Solution

scientific article published on 4 December 2015

Force-induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains Ring-opening Selectivity of Cyclopropanes

scientific article published on 12 December 2017

Hybrid quantum mechanical/molecular mechanical investigation of the beta-1,4-galactosyltransferase-I mechanism.

scientific article published in August 2009

Mechanical Manipulation of Chemical Reactions: Reactivity Switching of Bergman Cyclizations.

scientific article published on 20 February 2014

Should the Woodward-Hoffmann Rules be Applied to Mechanochemical Reactions?

scientific article published on 16 February 2015

Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems.

scientific article

The Janus-faced role of external forces in mechanochemical disulfide bond cleavage.

scientific article published on 16 June 2013

Unclicking the Click: Metal-Assisted Mechanochemical Cycloreversion of Triazoles Is Possible

scientific article published on 24 April 2017

Unexpected cleavage of upper rim-bridged calix[4]arenes leading to linear oligophenolic derivatives

scientific article published on 15 January 2018

Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution

scientific article published on 24 October 2016

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