| Characterization of tunable radical metal–carbenes: key intermediates in catalytic cyclopropanation JL Belof, CR Cioce, X Xu, XP Zhang, B Space, HL Woodcock Organometallics 30 (10), 2739-2746, 2011 | 83 | 2011 |
| A Polarizable and Transferable PHAST CO2 Potential for Materials Simulation AL Mullen, T Pham, KA Forrest, CR Cioce, K McLaughlin, B Space Journal of chemical theory and computation 9 (12), 5421-5429, 2013 | 52 | 2013 |
| Computational Studies of CO2 Sorption and Separation in an Ultramicroporous Metal–Organic Material KA Forrest, T Pham, A Hogan, K McLaughlin, B Tudor, P Nugent, SD Burd, ... The Journal of Physical Chemistry C 117 (34), 17687-17698, 2013 | 52 | 2013 |
| Theoretical Investigations of CO2 and H2 Sorption in an Interpenetrated Square-Pillared Metal–Organic Material T Pham, KA Forrest, K McLaughlin, B Tudor, P Nugent, A Hogan, A Mullen, ... The Journal of Physical Chemistry C 117 (19), 9970-9982, 2013 | 49 | 2013 |
| Efficient calculation of many-body induced electrostatics in molecular systems K McLaughlin, CR Cioce, T Pham, JL Belof, B Space The Journal of chemical physics 139 (18), 2013 | 43 | 2013 |
| Theoretical Investigations of CO2 and CH4 Sorption in an Interpenetrated Diamondoid Metal–Organic Material T Pham, KA Forrest, B Tudor, SK Elsaidi, MH Mohamed, K McLaughlin, ... Langmuir 30 (22), 6454-6462, 2014 | 35 | 2014 |
| Investigating H2 Sorption in a Fluorinated Metal–Organic Framework with Small Pores Through Molecular Simulation and Inelastic Neutron Scattering KA Forrest, T Pham, PA Georgiev, F Pinzan, CR Cioce, T Unruh, J Eckert, ... Langmuir 31 (26), 7328-7336, 2015 | 29 | 2015 |
| A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions K McLaughlin, CR Cioce, JL Belof, B Space The Journal of Chemical Physics 136 (19), 2012 | 28 | 2012 |
| A Polarizable and Transferable PHAST N2 Potential for Use in Materials Simulation CR Cioce, K McLaughlin, JL Belof, B Space Journal of chemical theory and computation 9 (12), 5550-5557, 2013 | 23 | 2013 |
| MPMC and MCMD: Free High‐Performance Simulation Software for Atomistic Systems DM Franz, JL Belof, K McLaughlin, CR Cioce, B Tudor, A Hogan, ... Advanced Theory and Simulations 2 (11), 1900113, 2019 | 13 | 2019 |
| Computational Investigations of Potential Energy Function Development for Metal–Organic Framework Simulations, Metal Carbenes, and Chemical Warfare Agents CR Cioce University of South Florida, 2015 | 3 | 2015 |
| Using Photoacoustic Calorimetry to Study the cis- to trans- Photoisomerization of the [Ru(II)(2,2’-bipyridine)2(H2O)2]2+ Complex in Aqueous Solution TA Word, A Karolak, CR Cioce, A Van Der Vaart, RW Larsen Comments on Inorganic Chemistry 36 (6), 343-354, 2016 | 1 | 2016 |
| Erratum:“A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions”[J. Chem. Phys. 136, 194302 (2012)] K McLaughlin, CR Cioce, JL Belof, B Space The Journal of Chemical Physics 137 (12), 2012 | 1 | 2012 |
| Publisher's Note:“A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions”[J. Chem. Phys. 136, 194302 (2012)] K McLaughlin, CR Cioce, JL Belof, B Space Chem. Phys 136, 194302, 2012 | 1 | 2012 |
| Developing polarizable potentials for metal-organic materials sorption simulations CR Cioce, K McLaughlin, B Tudor, A Mullen, JL Belof, B Space ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
| Precision modeling of methane and nitrogen using transferable potential energy functions CR Cioce, K McLaughlin, G Quiel, B Tudor, JL Belof, B Space ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012 | | 2012 |
Brian SpaceNorth Carolina State University Department of ChemistryVerified email at ncsu.edu
