| Benchmark Structures and Harmonic Vibrational Frequencies Near the CCSD(T) Complete Basis Set Limit for Small Water Clusters: (H2O)n = 2, 3, 4, 5, 6 JC Howard, GS Tschumper Journal of chemical theory and computation 11 (5), 2126-2136, 2015 | 80 | 2015 |
| Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations JC Howard, JL Gray, AJ Hardwick, LT Nguyen, GS Tschumper Journal of Chemical Theory and Computation 10 (12), 5426-5435, 2014 | 71 | 2014 |
| Assessing the accuracy of some popular DFT methods for computing harmonic vibrational frequencies of water clusters JC Howard, JD Enyard, GS Tschumper The Journal of chemical physics 143 (21), 2015 | 66 | 2015 |
| Charge transfer and blue shifting of vibrational frequencies in a hydrogen bond acceptor AM Wright, AA Howard, JC Howard, GS Tschumper, NI Hammer The Journal of Physical Chemistry A 117 (26), 5435-5446, 2013 | 57 | 2013 |
| Wavefunction methods for the accurate characterization of water clusters JC Howard, GS Tschumper Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 199-224, 2014 | 52 | 2014 |
| N-body: Many-body QM: QM vibrational frequencies: Application to small hydrogen-bonded clusters JC Howard, GS Tschumper The Journal of chemical physics 139 (18), 2013 | 49 | 2013 |
| Structures, energetics and vibrational frequency shifts of hydrated pyrimidine JC Howard, NI Hammer, GS Tschumper ChemPhysChem 12 (17), 3262-3273, 2011 | 24 | 2011 |
| Performance of property-optimized basis sets for optical rotation with coupled cluster theory JC Howard, S Sowndarya SV, IM Ansari, TJ Mach, ... The Journal of Physical Chemistry A 122 (28), 5962-5969, 2018 | 18 | 2018 |
| Dissociation Energy of the H2O···HF Dimer TM Sexton, JC Howard, GS Tschumper The Journal of Physical Chemistry A 122 (21), 4902-4908, 2018 | 14 | 2018 |
| Electronically excited states in solution via a smooth dielectric model combined with equation-of-motion coupled cluster theory JC Howard, JC Womack, J Dziedzic, CK Skylaris, BP Pritchard, ... Journal of Chemical Theory and Computation 13 (11), 5572-5581, 2017 | 11 | 2017 |
| Wiley Interdiscip JC Howard, GS Tschumper Rev.: Comput. Mol. Sci 4, 199-224, 2014 | 10 | 2014 |
| Calculating optical rotatory dispersion spectra in solution using a smooth dielectric model JC Howard, TD Crawford The Journal of Physical Chemistry A 122 (43), 8557-8564, 2018 | 7 | 2018 |
| S.; Ansari, IM; Mach, TJ; Baranowska-Laczkowska, A.; Crawford, TD Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory JC Howard, SV Sowndarya J. Phys. Chem. A 122, 5962-5969, 2018 | 7 | 2018 |
| Modeling solvent effects on chiroptical response properties with coupled cluster theory and implicit solvation J Howard, J Womack, J Dziedzic, CK Skylaris, TD Crawford ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| CL5. Excited State Transition Energies and Properties in Solution from a Smooth Dielectric Model JC Howard | | 2017 |
| Accurate Computation Of Molecular Properties From Novel Applications Of Quantum Mechanical Wavefunction Methods JC Howard | | 2015 |
| Efficiently and Accurately Reproducing CCSD (T) Optimized Structures and Vibrational Frequencies of Water Clusters with the N-body: Many-body QM: QM Method JC Howard, GS Tschumper ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
| Surface enhanced Raman spectra (SERS) of pyrimidine/water mixtures AK McClellan, LV Joe, JC Howard, AM Wright, GS Tschumper, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011 | | 2011 |
