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List of works by Zorka Smedarchina

An Instanton approach to hindered torsions: methyl glycolate — a case study

Analysis of Kinetic Isotope Effects in Enzymatic Carbon–Hydrogen Cleavage Reactions ⬇️

scientific article published on May 20, 2011

Communication: Selection rules for tunneling splitting of vibrationally excited levels

scientific article published on 01 July 2013

Comparison of synchronous and asynchronous hydrogen transfer mechanisms in free-base porphyrins

Correlated double-proton transfer. I. Theory.

scientific article published in November 2007

Dynamics of molecular inversion: An instanton approach

Entanglement and co-tunneling of two equivalent protons in hydrogen bond pairs

scientific article published in March 2018

Kinetic isotope effects for concerted multiple proton transfer: a direct dynamics study of an active-site model of carbonic anhydrase II.

scientific article

Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature.

scientific article published on August 2016

Multidimensional Hamiltonian for tunneling with position-dependent mass

scientific article published on 15 September 2014

Proton transfer dynamics via high resolution spectroscopy in the gas phase and instanton calculations

scientific article published on 01 June 2004

The rainbow instanton method: a new approach to tunneling splitting in polyatomics.

scientific article published in December 2012

Tunneling dynamics of double proton transfer in formic acid and benzoic acid dimers.

scientific article published in April 2005

Tunneling splitting in double-proton transfer: direct diagonalization results for porphycene.

scientific article published in November 2014

Tunneling splittings from ab initio data: indoline, a test case

Zero-point tunneling splittings in compounds with multiple hydrogen bonds calculated by the rainbow instanton method

scientific article published on 22 October 2013

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