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Chempluschem|February 4, 2020
Rationalising Supramolecular Hydrogelation of Bis-Urea-Based Gelators through a Multiscale ApproachRuben Van Lommel, Laurens A J Rutgeerts, Wim M De Borggraeve, et al.The Journal of Physical Chemistry. A|June 26, 2024
On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional TheoryJack T Taylor, David J Tozer, Basile F E CurchodPhysical Chemistry Chemical Physics : PCCP|October 19, 2006
Influence of Coulomb-attenuation on exchange-correlation functional qualityMichael J G Peach, Aron J Cohen, David J TozerJournal of Chemical Theory and Computation|November 25, 2015
Influence of Triplet Instabilities in TDDFTMichael J G Peach, Matthew J Williamson, David J TozerJournal of Chemical Theory and Computation|December 1, 2015
Characterization of the Chemical Behavior of the Low Excited States through a Local Chemical PotentialChristophe Morell, Vanessa Labet, André Grand, et al.Pharmaceuticals (Basel, Switzerland)|August 26, 2022
A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives-Towards an Improved Ligand Design and Tryptophan StackingRuben Van Lommel, Tom Bettens, Thomas M A Barlow, et al.Physical Chemistry Chemical Physics : PCCP|December 12, 2018
Photoelectron spectroscopic study of I-·ICF3: a frontside attack SN2 pre-reaction complexGolda Mensa-Bonsu, David J Tozer, Jan R R VerletJournal of Chemical Theory and Computation|November 22, 2015
Assessment of Tuning Methods for Enforcing Approximate Energy Linearity in Range-Separated Hybrid FunctionalsJonathan D Gledhill, Michael J G Peach, David J TozerThe Journal of Chemical Physics|July 7, 2007
Modeling the adiabatic connection in H2Michael J G Peach, Andrew M Teale, David J TozerThe Journal of Chemical Physics|December 7, 2023
On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2)Jack T Taylor, David J Tozer, Basile F E CurchodPageof 26