List of works - Christof M Jäger

A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

scientific article published on 01 July 2015

Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive

scientific article published on 22 May 2019

Amphiphilic perylene-calix[4]arene hybrids: synthesis and tunable self-assembly

scientific article published on 3 March 2015

An ab initio and density functional theory study of radical-clock reactions

scientific article published on 23 January 2008

An unsymmetrical pentacene derivative with ambipolar behavior in organic thin-film transistors

scientific article published on 01 August 2013

Controlling the outcome of SN2 reactions in ionic liquids: from rational data set design to predictive linear regression models

scientific article published on 12 October 2020

Counterions control the self-assembly of structurally persistent micelles: theoretical prediction and experimental observation of stabilization by sodium ions

scientific article

Driving forces for the self-assembly of graphene oxide on organic monolayers

article

Improved NOE fitting for flexible molecules based on molecular mechanics data - a case study with S-adenosylmethionine.

scientific article published on 28 February 2018

Improving the Charge Transport in Self-Assembled Monolayer Field-Effect Transistors: From Theory to Devices

article

Indentation and Self-Healing Mechanisms of a Self-Assembled Monolayer—A Combined Experimental and Modeling Study

scientific article published on 23 July 2014

Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors ⬇️

scientific article published on 01 May 2014

Molecular dynamics simulations of liquid phase interfaces: understanding the structure of the glycerol/water-dodecane system

scientific article published on 16 September 2013

Radical Reaction Control in the AdoMet Radical Enzyme CDG Synthase (QueE): Consolidate, Destabilize, Accelerate

scientific article

Radical Stabilization Energies for Enzyme Engineering: Tackling the Substrate Scope of the Radical Enzyme QueE

scientific article published on 03 December 2019

Rational Design of Thermostable Carbonic Anhydrase Mutants Using Molecular Dynamics Simulations

scientific article published on 29 August 2018

Revealing solvent-dependent folding behavior of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis

scientific article published on 14 February 2019

Self-Assembly, Adaptive Response, and in,out-Stereoisomerism of Large Orthoformate Cryptands

scientific article published on 19 April 2020

Self-assembly of structurally persistent micelles is controlled by specific-ion effects and hydrophobic guests

scientific article published in July 2010

Sodium effect on self-organization of amphiphilic carboxylates: formation of structured micelles and superlattices

scientific article

The effect of a complexed lithium cation on a norcarane-based radical clock

scientific article published in January 2009

The relationship between threshold voltage and dipolar character of self-assembled monolayers in organic thin-film transistors

scientific article published on 17 July 2012

List of works by Christof M Jäger

A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive

Amphiphilic perylene-calix[4]arene hybrids: synthesis and tunable self-assembly

An ab initio and density functional theory study of radical-clock reactions

An unsymmetrical pentacene derivative with ambipolar behavior in organic thin-film transistors

Controlling the outcome of SN2 reactions in ionic liquids: from rational data set design to predictive linear regression models

Counterions control the self-assembly of structurally persistent micelles: theoretical prediction and experimental observation of stabilization by sodium ions

Driving forces for the self-assembly of graphene oxide on organic monolayers

Improved NOE fitting for flexible molecules based on molecular mechanics data - a case study with S-adenosylmethionine.

Improving the Charge Transport in Self-Assembled Monolayer Field-Effect Transistors: From Theory to Devices

Indentation and Self-Healing Mechanisms of a Self-Assembled Monolayer—A Combined Experimental and Modeling Study

Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors ⬇️

Molecular dynamics simulations of liquid phase interfaces: understanding the structure of the glycerol/water-dodecane system

Radical Reaction Control in the AdoMet Radical Enzyme CDG Synthase (QueE): Consolidate, Destabilize, Accelerate

Radical Stabilization Energies for Enzyme Engineering: Tackling the Substrate Scope of the Radical Enzyme QueE

Rational Design of Thermostable Carbonic Anhydrase Mutants Using Molecular Dynamics Simulations

Revealing solvent-dependent folding behavior of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis

Self-Assembly, Adaptive Response, and in,out-Stereoisomerism of Large Orthoformate Cryptands

Self-assembly of structurally persistent micelles is controlled by specific-ion effects and hydrophobic guests

Sodium effect on self-organization of amphiphilic carboxylates: formation of structured micelles and superlattices

The effect of a complexed lithium cation on a norcarane-based radical clock

The relationship between threshold voltage and dipolar character of self-assembled monolayers in organic thin-film transistors