| 1 |
Computational Analysis of Electron Transfer Kinetics for CO2 Reduction with Organic Photoredox Catalysts
Kron KJ, Gomez SJ, Mao YZ, Cave RJ, Sharada SM
Journal of Physical Chemistry A, 124(26), 5359, 2020 |
| 2 |
Nonadiabatic Investigation of the Electronic Spectroscopy of trans-1,3-Butadiene
Rabidoux SM, Cave RJ, Stanton JF
Journal of Physical Chemistry A, 123(15), 3255, 2019 |
| 3 |
Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements
Hartley MK, Vine S, Walsh E, Avrantinis S, Daub GW, Cave RJ
Journal of Physical Chemistry B, 120(8), 1486, 2016 |
| 4 |
Tribute to John R. Miller
Cave RJ, Piotrowiak P
Journal of Physical Chemistry B, 119(24), 7117, 2015 |
| 5 |
Multistate Treatments of the Electronic Coupling in Donor-Bridge-Acceptor Systems: Insights and Caveats from a Simple Model
Cave RJ, Newton MD
Journal of Physical Chemistry A, 118(35), 7221, 2014 |
| 6 |
Reduced Electronic Spaces for Modeling Donor/Acceptor Interactions
Cave RJ, Edwards ST, Kouzelos JA, Newton MD
Journal of Physical Chemistry B, 114(45), 14631, 2010 |
| 7 |
Tunneling through weak interactions: Comparison of through-space-, H-bond-, and through-bond-mediated tunneling
Kurlancheek W, Cave RJ
Journal of Physical Chemistry A, 110(51), 14018, 2006 |
| 8 |
A comparison of through-space and through-bond coupling for tunneling in alkane chains
Cukier E, Cave RJ
Chemical Physics Letters, 402(1-3), 186, 2005 |
| 9 |
A theoretical investigation of charge transfer in several substituted acridinium ions
Lappe J, Cave RJ, Newton MD, Rostov IV
Journal of Physical Chemistry B, 109(14), 6610, 2005 |
| 10 |
A dressed TDDFT treatment of the 2Ag states of butadiene and hexatriene
Cave RJ, Zhang F, Maitra NT, Burke K
Chemical Physics Letters, 389(1-3), 39, 2004 |
