D Vale Cofer-Shabica

8PUBLICATIONS
13CO-AUTHORS
Radiation and matterTheoretical quantum chemistryStatistical mechanics in chemistryChemical thermodynamics and energeticsReaction kinetics and dynamics
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Publications (8)

|Feb 09, 2026
Marcus Theory and The Condon Approximation Revisited II: The Horror of Triplet Energy Transfer.

Jennifer R DeRosa, Tian Qiu, D Vale Cofer-Shabica

|Feb 03, 2026
Marcus Theory and the Condon Approximation Revisited I: E-SHAKE and Seam Sampling.

D Vale Cofer-Shabica, Jennifer R DeRosa, Joseph E Subotnik

|Aug 27, 2025
A Theory of Ultrafast Charge Transfer Relaxation with Non-Innocent Solvent Molecules.

Vishikh Athavale, D Vale Cofer-Shabica, Joseph E Subotnik

|Jan 06, 2025
Revisiting the Discrepancy between Experimental and Theoretical Predictions of the Adiabaticity of Ti+ + CH3OH.

Jennifer R DeRosa, Joseph E Subotnik, Zheng Pei

|Dec 21, 2023
To guess or not to guess excited state amplitudes during optimization and dynamics.

D Vale Cofer-Shabica, Vishikh Athavale, Joseph E Subotnik

|Oct 09, 2023
Use of QM/MM Surface Hopping Simulations to Understand Thermally Activated Rare-Event Nonadiabatic Transitions in the Condensed Phase.

Alec J Coffman, Zuxin Jin, Junhan Chen

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Frequent Collaborators

5 joint publications

Joseph E Subotnik

3 joint publications

Jennifer R DeRosa

2 joint publications

Maximilian F S J Menger

2 joint publications

Yihan Shao