Robert J. Cave

Harvey Mudd College — United States

Physics and Astronomy · Physical Sciences

29h-index4.7kcitations78works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(33), Photochemistry and Electron Transfer Studies(32), Spectroscopy and Quantum Chemical Studies(30), Molecular Junctions and Nanostructures(18), Electrochemical Analysis and Applications(8)

Publications78 total

Geometric Control of Carbon–Carbon Reductive Elimination from a Platinum(IV) Pincer Complex
Organometallics·2022· 4 cited
Computational Analysis of Electron Transfer Kinetics for CO <sub>2</sub> Reduction with Organic Photoredox Catalysts
The Journal of Physical Chemistry A·2020· 22 cited
Computational Analysis of Electron Transfer Kinetics for CO2 Reduction with Organic Photoredox Catalysts
2020· 1 citedOpen Access
Computational Analysis of Electron Transfer Kinetics for CO2 Reduction with Organic Photoredox Catalysts
2020· 1 citedOpen Access
A Theoretical Model for Orientation Effects in Electron Transfer Reactions
CaltechTHESIS (California Institute of Technology)·2019Open Access
Nonadiabatic Investigation of the Electronic Spectroscopy of<i>trans</i>-1,3-Butadiene
The Journal of Physical Chemistry A·2019· 9 cited
Divergent Diels–Alder Reactions in the Biosynthesis and Synthesis of Endiandric-Type Tetracycles: A Computational Study
The Journal of Organic Chemistry·2018· 8 cited
A simple quasi-diabatization scheme suitable for spectroscopic problems based on one-electron properties of interacting states
The Journal of Chemical Physics·2016· 14 cited
Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements B
The Journal of Physical Chemistry·2016
Comparison of Relative Activation Energies Obtained by Density Functional Theory and the Random Phase Approximation for Several Claisen Rearrangements
The Journal of Physical Chemistry B·2015· 9 cited
Tribute to John R. Miller and Marshall D. Newton
The Journal of Physical Chemistry B·2015· 1 cited
Block diagonalization of the equation-of-motion coupled cluster effective Hamiltonian: Treatment of diabatic potential constants and triple excitations
The Journal of Chemical Physics·2014· 23 cited
Multistate Treatments of the Electronic Coupling in Donor–Bridge–Acceptor Systems: Insights and Caveats from a Simple Model
The Journal of Physical Chemistry A·2013· 16 cited
Reduced Electronic Spaces for Modeling Donor/Acceptor Interactions
The Journal of Physical Chemistry B·2010· 25 cited
Reduced Electronic Spaces for Modeling Donor
2010
The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions
The Journal of Chemical Physics·2009· 146 cited
Inducing Chirality with Circularly Polarized Light
Science·2009· 50 cited
Constructing diabatic states from adiabatic states: Extending generalized Mulliken–Hush to multiple charge centers with Boys localization
The Journal of Chemical Physics·2008· 261 cited
Tunneling through Weak Interactions:  Comparison of Through-Space-, H-Bond-, and Through-Bond-Mediated Tunneling
The Journal of Physical Chemistry A·2006· 24 cited
Theoretical investigation of the electronic coupling element in bis-ruthenium porphyrin dimers
Molecular Simulation·2006· 3 cited
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Frequent Co-authors

Ernest R. Davidson(8), Marshall D. Newton(6), Kieron Burke(3), Edward W. Castner(3), R. A. Marcus(3), Jason Lappe(3), John F. Stanton(3), Neepa T. Maitra(2), Fan Zhang(2), Joseph E. Subotnik(2), Paul Siders(2), William A. Goddard(2), Richard Mawhorter(2), Emily Cukier(2), Edmund L. Yee(1), Kendall L. Guyer(1), Paul D. Tyma(1), Michael J. Weaver(1), Sina Yeganeh(1), Mark A. Ratner(1)