Stephan Irle

According to our database1, Stephan Irle authored at least 8 papers between 2013 and 2019.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

On csauthors.net:

Bibliography

2019
Chiral-selective etching effects on carbon nanotube growth at edge carbon atoms.
J. Comput. Chem., 2019

The helix-inversion mechanism in double-stranded helical oligomers bridged by rotary cyclic boronate esters.
J. Comput. Chem., 2019

2018
Implementation of replica-exchange umbrella sampling in GAMESS.
Comput. Phys. Commun., 2018

2017
Theoretical rationalization for reduced charge recombination in bulky carbazole-based sensitizers in solar cells.
J. Comput. Chem., 2017

2016
Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation.
J. Comput. Chem., 2016

Glucose transformation to 5-hydroxymethylfurfural in acidic ionic liquid: A quantum mechanical study.
J. Comput. Chem., 2016

Implementation of replica-exchange umbrella sampling in the DFTB+ semiempirical quantum chemistry package.
Comput. Phys. Commun., 2016

2013
Stochastic structure determination for conformationally flexible heterogenous molecular clusters: Application to ionic liquids.
J. Comput. Chem., 2013


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