List of works - Itai Panas

A mechanistic investigation of ethylene oxide hydrolysis to ethanediol

scientific article published on 29 August 2007

Bridging model and real catalysts: general discussion

scientific article published on 01 July 2016

Catalyst design from theory to practice: general discussion

scientific article published on 01 July 2016

Chemical-to-mechanical energy conversion in biomacromolecular machines: a plasmon and optimum control theory for directional work. 1. General considerations

scientific article published on 21 June 2008

Communication: Towards catalytic nitric oxide reduction via oligomerization on boron doped graphene.

scientific article published in April 2016

Confinement dependence of electro-catalysts for hydrogen evolution from water splitting.

scientific article published on 24 February 2014

Electrocatalytic oxygen evolution from water on a Mn(III-V) dimer model catalyst--a DFT perspective

scientific article published on 20 July 2011

Hydrolysis on transition metal oxide clusters and the stabilities of M-O-M bridges

scientific article published on 01 July 2000

Hydroxide oxidation and peroxide formation at embedded binuclear transition metal sites; TM = Cr, Mn, Fe, Co

scientific article published on 20 July 2011

Model studies of the chemisorption of hydrogen and oxygen on Cu(100)

scientific article published on 01 November 1987

NO(2) dissociation on Ag(111) revisited by theory

scientific article published on 01 March 2008

NOxStorage on BaO(100) Surface from First Principles: a Two Channel Scenario

scientific article published in January 2002

Oxygen Vacancy Formation, Mobility, and Hydrogen Pick-up during Oxidation of Zirconium by Water

article

Quantum chemical modeling of ethene epoxidation with hydrogen peroxide: the effect of microsolvation with water

scientific article published on 24 August 2007

Quantum chemical modeling of propene and butene epoxidation with hydrogen peroxide.

scientific article

Quantum chemical modelling of the rate determining step for oxygen reduction on quinones

scientific article published on 09 August 2006

Single atom hot-spots at Au-Pd nanoalloys for electrocatalytic H2O2 production

scientific article published on 11 November 2011

Switching on the electrocatalytic ethene epoxidation on nanocrystalline RuO2

scientific article published on 25 March 2011

The bifurcation point of the oxygen reduction reaction on Au-Pd nanoalloys.