Eno Paenurk

17PUBLICATIONS
21CO-AUTHORS
EcohydrologyOrganometallic chemistryDegenerate quantum gases and atom opticsOptimisationTheoretical quantum chemistry
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Publications (17)

|Sep 08, 2026
Nuclear-Electronic Orbital General Rate Theory: Predicting Hydrogen Kinetic Isotope Effects in the Deep Tunneling Regime.

|Aug 12, 2026
Reactivity of Nitroarenes toward Alkyl Radicals Enables Direct C-H Alkylation.

|Jun 15, 2026
Extended Lagrangian molecular dynamics on vibronic surfaces in the nuclear-electronic orbital framework.

|Feb 17, 2026
Efficient and robust optimization of nuclear and electronic orbitals within the nuclear Hartree product representation.

Mathew Chow, Eno Paenurk, Sharon Hammes-Schiffer

|Sep 28, 2025
Reliable pKa Prediction through Efficient Incorporation of Anharmonicity within the Nuclear-Electronic Orbital Framework.

Jang Mok Yoo, Mathew Chow, Eno Paenurk

|Jun 13, 2025
Solvation Free Energies of Ion Dissociations in Dichloromethane: En Route to Accurate Computations.

Adélaïde Savoy, Eno Paenurk, Robert Pollice

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Frequent Collaborators

5 joint publications

Peter Chen

5 joint publications

Renana Gershoni-Poranne

5 joint publications

Sharon Hammes-Schiffer

2 joint publications

Mathew Chow