Lawrence JE - Search Results

1

How Quantum is the Resonance Behavior in Vibrational Polariton Chemistry?

Fiechter MR, Runeson JE, Lawrence JE, Richardson JO. Fiechter MR, et al. Among authors: lawrence je. J Phys Chem Lett. 2023 Sep 14;14(36):8261-8267. doi: 10.1021/acs.jpclett.3c01154. Epub 2023 Sep 7. J Phys Chem Lett. 2023. PMID: 37676159 Free PMC article.

2

Explaining the Efficiency of Photosynthesis: Quantum Uncertainty or Classical Vibrations?

Runeson JE, Lawrence JE, Mannouch JR, Richardson JO. Runeson JE, et al. Among authors: lawrence je. J Phys Chem Lett. 2022 Apr 21;13(15):3392-3399. doi: 10.1021/acs.jpclett.2c00538. Epub 2022 Apr 11. J Phys Chem Lett. 2022. PMID: 35404611 Free PMC article.

3

Improved microcanonical instanton theory.

Lawrence JE, Richardson JO. Lawrence JE, et al. Faraday Discuss. 2022 Oct 21;238(0):204-235. doi: 10.1039/d2fd00063f. Faraday Discuss. 2022. PMID: 35929848 Free PMC article.

4

Perturbatively corrected ring-polymer instanton theory for accurate tunneling splittings.

Lawrence JE, Dušek J, Richardson JO. Lawrence JE, et al. J Chem Phys. 2023 Jul 7;159(1):014111. doi: 10.1063/5.0155579. J Chem Phys. 2023. PMID: 37409701

5

Fast Quasi-Centroid Molecular Dynamics for Water and Ice.

Lawrence JE, Lieberherr AZ, Fletcher T, Manolopoulos DE. Lawrence JE, et al. J Phys Chem B. 2023 Oct 26;127(42):9172-9180. doi: 10.1021/acs.jpcb.3c05028. Epub 2023 Oct 13. J Phys Chem B. 2023. PMID: 37830934 Free PMC article.

6

Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping.

Lawrence JE, Mannouch JR, Richardson JO. Lawrence JE, et al. J Phys Chem Lett. 2024 Jan 25;15(3):707-716. doi: 10.1021/acs.jpclett.3c03197. Epub 2024 Jan 12. J Phys Chem Lett. 2024. PMID: 38214476 Free PMC article.

7

A MASH simulation of the photoexcited dynamics of cyclobutanone.

Lawrence JE, Ansari IM, Mannouch JR, Manae MA, Asnaashari K, Kelly A, Richardson JO. Lawrence JE, et al. J Chem Phys. 2024 May 7;160(17):174306. doi: 10.1063/5.0203695. J Chem Phys. 2024. PMID: 38748021

8

A size-consistent multi-state mapping approach to surface hopping.

Lawrence JE, Mannouch JR, Richardson JO. Lawrence JE, et al. J Chem Phys. 2024 Jun 28;160(24):244112. doi: 10.1063/5.0208575. J Chem Phys. 2024. PMID: 38940540

9

On the calculation of quantum mechanical electron transfer rates.

Lawrence JE, Fletcher T, Lindoy LP, Manolopoulos DE. Lawrence JE, et al. J Chem Phys. 2019 Sep 21;151(11):114119. doi: 10.1063/1.5116800. J Chem Phys. 2019. PMID: 31542014

10

Vibrational strong coupling in liquid water from cavity molecular dynamics.

Lieberherr AZ, Furniss STE, Lawrence JE, Manolopoulos DE. Lieberherr AZ, et al. Among authors: lawrence je. J Chem Phys. 2023 Jun 21;158(23):234106. doi: 10.1063/5.0156808. J Chem Phys. 2023. PMID: 37326163

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