Kelsey A. Parker

发表

Semiglobal diabatic potential energy matrix for the N-H photodissociation of methylamine.

D. Truhlar, Kelsey A. Parker, 2020, The Journal of chemical physics.

Dual-Functional Tamm-Dancoff Approximation with Self-Interaction-Free Orbitals: Vertical Excitation Energies and Potential Energy Surfaces near an Intersection Seam.

Yinan Shu, D. Truhlar, Kelsey A. Parker, 2017, The journal of physical chemistry. A.

Direct diabatization based on nonadiabatic couplings: the N/D method.

D. Truhlar, Z. Varga, Kelsey A. Parker, 2018, Physical chemistry chemical physics : PCCP.

The DQ and DQΦ electronic structure diabatization methods: Validation for general applications.

Chad E. Hoyer, D. Truhlar, L. Gagliardi, 2016, The Journal of chemical physics.

Structure–Property Relationships in Phosphonate-Derivatized, RuII Polypyridyl Dyes on Metal Oxide Surfaces in an Aqueous Environment

Michael R. Norris, Wenjing Song, Hanlin Luo, 2012 .

Dual-Functional Tamm-Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S1/S0 Conical Intersections.

Yinan Shu, D. Truhlar, Kelsey A. Parker, 2017, The journal of physical chemistry letters.

Conservation of Angular Momentum in Direct Nonadiabatic Dynamics.

Yinan Shu, D. Truhlar, Shaozeng Sun, 2020, The journal of physical chemistry letters.

Extended Hamiltonian molecular dynamics: semiclassical trajectories with improved maintenance of zero point energy.

Yinan Shu, D. Truhlar, Linyao Zhang, 2018, Physical chemistry chemical physics : PCCP.

Coherence in Chemistry: Foundations and Frontiers.

D. Beratan, N. Makri, J. Ogilvie, 2024, Chemical reviews.

Efficiency Limits of Energy Conversion by Light-Driven Redox Chains.

D. Beratan, M. Therien, J. Schultz, 2024, Journal of the American Chemical Society.