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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 Chemical Physics|May 2, 2009
Photoionization efficiency spectroscopy and density functional theory investigations of RhHo2O(n) (n = 0-2) clustersAlexander S Gentleman, Matthew A Addicoat, Viktoras Dryza, et al.
The Journal of Physical Chemistry. A|June 30, 2021
Photoionization of Nb3CO and Nb3(CO)2: Is CO Molecularly or Dissociatively Adsorbed on Niobium?David B Pedersen, David M Rayner, Benoit Simard, et al.
The Journal of Chemical Physics|November 11, 2011
Optimization of a genetic algorithm for searching molecular conformer spaceZoe E Brain, Matthew A Addicoat
Physical Chemistry Chemical Physics : PCCP|June 17, 2022
Effect of unwanted guest molecules on the stacking configuration of covalent organic frameworks: a periodic energy decomposition analysisA D Dinga Wonanke, Matthew A Addicoat
Journal of the American Chemical Society|November 15, 2024
Vertically Expanded Crystalline Porous Covalent Organic FrameworksShuailei Xie, Matthew A Addicoat, Donglin Jiang
The Journal of Physical Chemistry. A|March 3, 2010
Onset of carbon-carbon bonding in Ta(5)C(y) (y = 0-6) clusters: a threshold photoionization and density functional theory studyViktoras Dryza, Jason F Alvino, Gregory F Metha
The Journal of Chemical Physics|November 4, 2017
Explicit treatment of hydrogen bonds in the universal force field: Validation and application for metal-organic frameworks, hydrates, and host-guest complexesDamien E Coupry, Matthew A Addicoat, Thomas Heine
Journal of Chemical Theory and Computation|September 1, 2016
Extension of the Universal Force Field for Metal-Organic FrameworksDamien E Coupry, Matthew A Addicoat, Thomas Heine
Physical Chemistry Chemical Physics : PCCP|April 22, 2022
Performance of GFN1-xTB for periodic optimization of metal organic frameworksMaryam Nurhuda, Carole C Perry, Matthew A Addicoat
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