Stanton JF - Search Results

1

Vibronic Coupling Effects in the Photoelectron Spectrum of Ozone: A Coupled-Cluster Approach.

Wójcik P, Reisler H, Szalay PG, Krylov AI, Stanton JF. Wójcik P, et al. Among authors: stanton jf. J Phys Chem A. 2024 Nov 14. doi: 10.1021/acs.jpca.4c05973. Online ahead of print. J Phys Chem A. 2024. PMID: 39540766

2

Accuracy of Coupled Cluster Excited State Potential Energy Surfaces.

Tajti A, Stanton JF, Matthews DA, Szalay PG. Tajti A, et al. Among authors: stanton jf. J Chem Theory Comput. 2018 Nov 13;14(11):5859-5869. doi: 10.1021/acs.jctc.8b00681. Epub 2018 Oct 23. J Chem Theory Comput. 2018. PMID: 30299948

3

Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks.

Gulania S, Kjønstad EF, Stanton JF, Koch H, Krylov AI. Gulania S, et al. Among authors: stanton jf. J Chem Phys. 2021 Mar 21;154(11):114115. doi: 10.1063/5.0041822. J Chem Phys. 2021. PMID: 33752380

4

Coupled-cluster techniques for computational chemistry: The CFOUR program package.

Matthews DA, Cheng L, Harding ME, Lipparini F, Stopkowicz S, Jagau TC, Szalay PG, Gauss J, Stanton JF. Matthews DA, et al. Among authors: stanton jf. J Chem Phys. 2020 Jun 7;152(21):214108. doi: 10.1063/5.0004837. J Chem Phys. 2020. PMID: 32505146

5

Benchmarking Aspects of Ab Initio Fragment Models for Accurate Excimer Potential Energy Surfaces.

Barcza B, Szirmai ÁB, Tajti A, Stanton JF, Szalay PG. Barcza B, et al. Among authors: stanton jf. J Chem Theory Comput. 2023 Jun 27;19(12):3580-3600. doi: 10.1021/acs.jctc.3c00104. Epub 2023 May 26. J Chem Theory Comput. 2023. PMID: 37236166 Free PMC article.

6

Triplet instability in doublet systems.

Szalay PG, Vázquez J, Simmons C, Stanton JF. Szalay PG, et al. Among authors: stanton jf. J Chem Phys. 2004 Oct 22;121(16):7624-31. doi: 10.1063/1.1795153. J Chem Phys. 2004. PMID: 15485222

7

High-Resolution Photoelectron Spectroscopy of Cryogenically Cooled NO₃̅.

Babin MC, DeVine JA, DeWitt M, Stanton JF, Neumark DM. Babin MC, et al. Among authors: stanton jf. J Phys Chem Lett. 2020 Jan 16;11(2):395-400. doi: 10.1021/acs.jpclett.9b03055. Epub 2019 Dec 30. J Phys Chem Lett. 2020. PMID: 31765169

8

Why the CC Stretch in HCC Is So Anharmonic.

Stanton JF. Stanton JF. J Phys Chem A. 2021 Sep 9;125(35):7694-7698. doi: 10.1021/acs.jpca.1c06372. Epub 2021 Aug 26. J Phys Chem A. 2021. PMID: 34496573

9

Calculated and Empirical Values of Vibronic Transition Dipole Moments of Reactive Chemical Intermediates for Determination of Concentrations.

Jones IW, Bersson JS, Liu J, Sharma K, Vasilyev OA, Miller TA, Stanton JF. Jones IW, et al. Among authors: stanton jf. J Phys Chem A. 2023 Jun 1;127(21):4670-4681. doi: 10.1021/acs.jpca.3c01584. Epub 2023 May 22. J Phys Chem A. 2023. PMID: 37216680

10

Millimeter/Submillimeter-wave Spectroscopy and the Semi-experimental Equilibrium (r_e^SE) Structure of 1H-1,2,4-Triazole (c-C₂H₃N₃).

Bunn HA, Esselman BJ, Franke PR, Kougias SM, McMahon RJ, Stanton JF, Widicus Weaver SL, Woods RC. Bunn HA, et al. Among authors: stanton jf. J Phys Chem A. 2022 Nov 10;126(44):8196-8210. doi: 10.1021/acs.jpca.2c06038. Epub 2022 Oct 31. J Phys Chem A. 2022. PMID: 36314454

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