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List of works by Daniel Hollas

Aqueous Solution Chemistry of Ammonium Cation in the Auger Time Window

scientific article published on 7 April 2017

Clustering and photochemistry of freon CF2Cl2 on argon and ice nanoparticles

scientific article published on 19 June 2014

Control of X-ray Induced Electron and Nuclear Dynamics in Ammonia and Glycine Aqueous Solution via Hydrogen Bonding.

scientific article

Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme

scientific article published on May 2010

Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

scientific article published on 07 April 2020

Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB

scientific article published on 01 May 2019

Modeling Liquid Photoemission Spectra: Path Integral Molecular Dynamics Combined with Tuned Range-Separated Hybrid Functionals

scientific article published on 21 September 2016

Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method.

scientific article published on 5 December 2017

On the Performance of Optimally Tuned Range-Separated Hybrid Functionals for X-ray Absorption Modeling.

scientific article published on July 2015

On the importance of initial conditions for excited-state dynamics

scientific article published on 01 December 2018

Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations.

scientific article published on 10 June 2013

Reactive Radical Etching of Quartz by Microwave Activated CH/H Plasmas Promotes Gas Phase Nanoparticle Formation

scientific article published on 19 December 2024

Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein

UV absorption of Criegee intermediates: quantitative cross sections from high-level ab initio theory

scientific article published on 14 February 2018

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