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List of works by Shane M Parker

Coherent control of molecular torsion

scientific article published on 01 December 2011

Communication: Active space decomposition with multiple sites: density matrix renormalization group algorithm ⬇️

scientific article published in December 2014

Communication: Active-space decomposition for molecular dimers.

scientific article published in July 2013

Expanding the Scope of RNA Metabolic Labeling with Vinyl Nucleosides and Inverse Electron-Demand Diels-Alder Chemistry

scientific article published on 25 July 2019

Mechanism of photocatalytic water oxidation on small TiO2 nanoparticles

scientific article published on 7 December 2016

Molecular Junctions: Can Pulling Influence Optical Controllability?

scientific article published on 31 July 2014

Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation

scientific article published on 29 August 2019

Orbital Optimization in the Active Space Decomposition Model ⬇️

scientific article published in August 2015

Quadratic Response Properties from TDDFT: Trials and Tribulations

scientific article published on 12 December 2017

Quasi-diabatic States from Active Space Decomposition

scientific article published on 23 July 2014

Surface hopping with cumulative probabilities: Even sampling and improved reproducibility

scientific article published on 01 November 2020

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

scientific article published on 01 May 2020

Unphysical divergences in response theory.

scientific article published in October 2016

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