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The Journal of Physical Chemistry. A|March 29, 2007
BFW: a density functional for transition metal clustersMatthew A Addicoat, Mark A Buntine, Gregory F Metha, et al.The Journal of Physical Chemistry. A|February 22, 2018
Efficient Method for Calculating Effective Core Potential IntegralsSimon C McKenzie, Evgeny Epifanovsky, Giuseppe M J Barca, et al.Journal of Chemical Theory and Computation|January 24, 2020
Q-MP2-OS: Møller-Plesset Correlation Energy by QuadratureGiuseppe M J Barca, Simon C McKenzie, Nathaniel J Bloomfield, et al.The Journal of Physical Chemistry. B|July 30, 2008
Long-lived radical cations as model compounds for the reactive one-electron oxidation product of vitamin EHong Mei Peng, Becky F Choules, Wei Wei Yao, et al.Journal of Computational Chemistry|March 6, 2007
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculationsH Lee Woodcock, Milan Hodošček, Andrew T B Gilbert, et al.Physical Chemistry Chemical Physics : PCCP|February 12, 2009
The role of exchange in systematic DFT errors for some organic reactionsDavid R B Brittain, Ching Yeh Lin, Andrew T B Gilbert, et al.Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|August 28, 2007
Picosecond time-resolved infrared study of 2-aminopurine ionisation in solutionMarina K Kuimova, Peter M W Gill, Ching-Yeh Lin, et al.Journal of the American Chemical Society|May 29, 2003
Stereoselective association of binuclear metallacycles in coordination polymersAndrei N Khlobystov, Matthew T Brett, Alexander J Blake, et al.Journal of the American Chemical Society|December 12, 2002
Probing the reactivity of photoinitiators for free radical polymerization: time-resolved infrared spectroscopic study of benzoyl radicalsChristopher S Colley, David C Grills, Nicholas A Besley, et al.Physical Chemistry Chemical Physics : PCCP|October 21, 2022
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials scienceAndrew M Teale, Trygve Helgaker, Andreas Savin, et al.Pageof 8