List of works - Marlies Hankel

An accurate study of the dynamics of the C+OH reaction on the second excited 14A″ potential energy surface

article

Anatomy of the S(1D) + H2 reaction: the dynamics on two new potential energy surfaces from quantum dynamics calculations.

scientific article published on 5 July 2011

Asymmetrically Decorated, Doped Porous Graphene As an Effective Membrane for Hydrogen Isotope Separation

Biphenylene and Phagraphene as Lithium Ion Battery Anode Materials.

scientific article published on 31 May 2017

Coordination of Atomic Co–Pt Coupling Species at Carbon Defects as Active Sites for Oxygen Reduction Reaction

scientific article published on 21 August 2018

Coriolis coupling effects in the calculation of state-to-state integral and differential cross sections for the H+D2 reaction

scientific article published on 01 June 2007

Coriolis coupling effects in the dynamics of deep well reactions: application to the H+ + D2 reaction

scientific article published on 29 March 2011

DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions

Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution Reaction

scientific article published on 09 April 2019

Dynamics of the D+ + H2 and H+ + D2 reactions: a detailed comparison between theory and experiment

scientific article published in 2012

Energy dependent dynamics of the O(1D) + HCl reaction: A quantum, quasiclassical and statistical study

scientific article published in 2011

Exact and truncated Coriolis coupling calculations for the S(1D)+HD reaction employing the ground adiabatic electronic state

scientific article published on 25 August 2010

Graphdiyne: a versatile nanomaterial for electronics and hydrogen purification

scientific article published on 27 September 2011

INITIAL ROTATIONAL QUANTUM STATE EXCITATION AND ISOTOPIC EFFECTS FOR THEO(1D)+HCl→OH+Cl (OCl+H)REACTION

Integral and differential cross sections for the S(1D)+HD reaction employing the ground adiabatic electronic state

scientific article published on 05 November 2009

Kinetic modelling of molecular hydrogen transport in microporous carbon materials

scientific article published on 28 March 2011

Lithium storage on carbon nitride, graphenylene and inorganic graphenylene

scientific article published on 16 March 2016

Modelling carbon membranes for gas and isotope separation ⬇️

scientific article published on April 14, 2013

Nonadiabatic effects in the H+H2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level

scientific article published on 01 April 2009

Nonadiabatic quantum dynamics calculations for the N + NH → N2 + H reaction

article

Quantum Mechanical Calculation of Energy Dependence of OCl/OH Product Branching Ratio and Product Quantum State Distributions for the O(1D) + HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces

scientific article published on 07 August 2008

Quantum calculation of ro-vibrational states: methodology and DOCl application results

scientific article published on 27 March 2008

Quantum calculations for the S(1D)+H2reaction employing the ground adiabatic electronic state

Quantum dynamical study of the O(D1)+HCl reaction employing three electronic state potential energy surfaces

scientific article published on 01 January 2008

Significant nonadiabatic effects in the C + CH reaction dynamics.

scientific article published on July 2011

State-to-state reaction probabilities for the H+O2(v,j)-->O+OH(v',j') reaction on three potential energy surfaces.

scientific article published in August 2007

State-to-state reactive differential cross sections for the H+H2→H2+H reaction on five different potential energy surfaces employing a new quantum wavepacket computer code: DIFFREALWAVE

scientific article published on 01 October 2006

Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: The dynamics on two different potential energy surfaces

article

The dynamics of the H++ D2reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results

scientific article published in 2010

List of works by Marlies Hankel

An accurate study of the dynamics of the C+OH reaction on the second excited 14A″ potential energy surface

Anatomy of the S(1D) + H2 reaction: the dynamics on two new potential energy surfaces from quantum dynamics calculations.

Asymmetrically Decorated, Doped Porous Graphene As an Effective Membrane for Hydrogen Isotope Separation

Biphenylene and Phagraphene as Lithium Ion Battery Anode Materials.

Coordination of Atomic Co–Pt Coupling Species at Carbon Defects as Active Sites for Oxygen Reduction Reaction

Coriolis coupling effects in the calculation of state-to-state integral and differential cross sections for the H+D2 reaction

Coriolis coupling effects in the dynamics of deep well reactions: application to the H+ + D2 reaction

DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions

Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution Reaction

Dynamics of the D+ + H2 and H+ + D2 reactions: a detailed comparison between theory and experiment

Energy dependent dynamics of the O(1D) + HCl reaction: A quantum, quasiclassical and statistical study

Exact and truncated Coriolis coupling calculations for the S(1D)+HD reaction employing the ground adiabatic electronic state

Graphdiyne: a versatile nanomaterial for electronics and hydrogen purification

INITIAL ROTATIONAL QUANTUM STATE EXCITATION AND ISOTOPIC EFFECTS FOR THEO(1D)+HCl→OH+Cl (OCl+H)REACTION

Integral and differential cross sections for the S(1D)+HD reaction employing the ground adiabatic electronic state

Kinetic modelling of molecular hydrogen transport in microporous carbon materials

Lithium storage on carbon nitride, graphenylene and inorganic graphenylene

Modelling carbon membranes for gas and isotope separation ⬇️

Nonadiabatic effects in the H+H2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level

Nonadiabatic quantum dynamics calculations for the N + NH → N2 + H reaction

Quantum Mechanical Calculation of Energy Dependence of OCl/OH Product Branching Ratio and Product Quantum State Distributions for the O(1D) + HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces

Quantum calculation of ro-vibrational states: methodology and DOCl application results

Quantum calculations for the S(1D)+H2reaction employing the ground adiabatic electronic state

Quantum dynamical study of the O(D1)+HCl reaction employing three electronic state potential energy surfaces

Significant nonadiabatic effects in the C + CH reaction dynamics.

State-to-state reaction probabilities for the H+O2(v,j)-->O+OH(v',j') reaction on three potential energy surfaces.

State-to-state reactive differential cross sections for the H+H2→H2+H reaction on five different potential energy surfaces employing a new quantum wavepacket computer code: DIFFREALWAVE

Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: The dynamics on two different potential energy surfaces

The dynamics of the H++ D2reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results