Search filters

List of works by Justin E Elenewski

A GGA+U approach to effective electronic correlations in thiolate-ligated iron-oxo (IV) porphyrin

scientific article

A spin-1 representation for dual-funnel energy landscapes

scientific article published on 01 July 2018

Ab initio dynamics of the cytochrome P450 hydroxylation reaction

scientific article

Communication: Master equations for electron transport: The limits of the Markovian limit.

scientific article published in October 2017

Computational modeling of self-trapped electrons in rutile TiO2

scientific article published on 22 October 2015

Cytochrome P450 compound I in the plane wave pseudopotential framework: GGA electronic and geometric structure of thiolate-ligated iron(IV)-oxo porphyrin.

scientific article published on 14 May 2013

Depth-controlled beta-NMR of 8Li in a thin silver film

scientific article published on 05 October 2004

Free energy landscape of the retinol/serum retinol binding protein complex: a biological host-guest system

scientific article published on September 2010

Interaction of the sigma(2) receptor ligand PB28 with the human nucleosome: computational and experimental probes of interaction with the H2A/H2B dimer

scientific article

Open System Tensor Networks and Kramers' Crossover for Quantum Transport

scientific article published on 01 January 2020

Optimal transport and colossal ionic mechano-conductance in graphene crown ethers

scientific article published on 12 July 2019

Spin equilibrium and O₂-binding kinetics of Mycobacterium tuberculosis CYP51 with mutations in the histidine-threonine dyad

scientific article

Topology, landscapes, and biomolecular energy transport

scientific article published on 11 October 2019

Visible-Light-Responsive Graphitic Carbon Nitride: Rational Design and Photocatalytic Applications for Water Treatment.

scientific article published on 17 November 2016

Paulina is supported by:

About Paulina

Help