Crabtree KN - Search Results

1

Reactant Discovery with an Ab Initio Nanoreactor: Exploration of Astrophysical N-Heterocycle Precursors and Formation Pathways.

Johansen SL, Park H, Wang LP, Crabtree KN. Johansen SL, et al. Among authors: crabtree kn. ACS Earth Space Chem. 2024 Aug 9;8(9):1771-1783. doi: 10.1021/acsearthspacechem.4c00120. eCollection 2024 Sep 19. ACS Earth Space Chem. 2024. PMID: 39318708 Free PMC article.

2

Rotational Spectrum of the β-Cyanovinyl Radical: A Possible Astrophysical N-Heterocycle Precursor.

Johansen SL, Martin-Drumel MA, Crabtree KN. Johansen SL, et al. Among authors: crabtree kn. J Phys Chem A. 2019 Jun 20;123(24):5171-5177. doi: 10.1021/acs.jpca.9b03798. Epub 2019 Jun 12. J Phys Chem A. 2019. PMID: 31135161

3

Coupled Cluster Characterization of 1-, 2-, and 3-Pyrrolyl: Parameters for Vibrational and Rotational Spectroscopy.

Johansen SL, Xu Z, Westerfield JH, Wannenmacher AC, Crabtree KN. Johansen SL, et al. Among authors: crabtree kn. J Phys Chem A. 2021 Feb 11;125(5):1257-1268. doi: 10.1021/acs.jpca.0c09833. Epub 2021 Jan 27. J Phys Chem A. 2021. PMID: 33502858

4

Rotational and Vibrational Spectra of the Pyridyl Radicals: A Coupled-Cluster Study.

Meyer KS, Westerfield JH, Johansen SL, Keane J, Wannenmacher AC, Crabtree KN. Meyer KS, et al. Among authors: crabtree kn. J Phys Chem A. 2022 May 26;126(20):3185-3197. doi: 10.1021/acs.jpca.2c01761. Epub 2022 May 13. J Phys Chem A. 2022. PMID: 35549287

5

Correction to "Rotational and Vibrational Spectra of the Pyridyl Radicals: A Coupled-Cluster Study".

Meyer KS, Westerfield JH, Johansen SL, Keane J, Wannenmacher AC, Crabtree KN. Meyer KS, et al. Among authors: crabtree kn. J Phys Chem A. 2022 Jul 14;126(27):4562. doi: 10.1021/acs.jpca.2c04094. Epub 2022 Jun 30. J Phys Chem A. 2022. PMID: 35771207 No abstract available.

6

Multireference configuration interaction study of the predissociation of C₂ via its F¹Π_u state.

Xu Z, Federman SR, Jackson WM, Ng CY, Wang LP, Crabtree KN. Xu Z, et al. Among authors: crabtree kn. J Chem Phys. 2022 Jul 14;157(2):024302. doi: 10.1063/5.0097451. J Chem Phys. 2022. PMID: 35840384

7

Rotational spectroscopy of methyl tert-butyl ether with a new K_a band chirped-pulse Fourier transform microwave spectrometer.

Crabtree KN, Westerfield JH, Dim CA, Meyer KS, Johansen SL, Buchanan ZS, Stucky PA. Crabtree KN, et al. Phys Chem Chem Phys. 2024 May 8;26(18):13694-13709. doi: 10.1039/d4cp00797b. Phys Chem Chem Phys. 2024. PMID: 38666410

8

K_a-Band Rotational Spectroscopy of Succinimide and N-Chlorosuccinimide.

Dim CA, Sorrells C, Hernandez-Castillo AO, Crabtree KN. Dim CA, et al. Among authors: crabtree kn. J Phys Chem A. 2024 Nov 14;128(45):9754-9762. doi: 10.1021/acs.jpca.4c06004. Epub 2024 Oct 31. J Phys Chem A. 2024. PMID: 39482816

9

A Tale of Two Tails: Rotational Spectroscopy of N-Ethyl Maleimide and N-Ethyl Succinimide.

York L, Sorrells C, Dim CA, Crabtree KN, Hernandez-Castillo AO. York L, et al. Among authors: crabtree kn. J Phys Chem A. 2024 Jul 18;128(28):5541-5547. doi: 10.1021/acs.jpca.4c02330. Epub 2024 Jul 9. J Phys Chem A. 2024. PMID: 38981043

10

Viewpoint on ACS PHYS Division Sponsored Virtual Seminars.

Abbott-Lyon H, Baiz CR, Bera PP, Crabtree K, Cui Q, Fortenberry RC, Landes CF, McCoy AB, Noriega R, Woon DE. Abbott-Lyon H, et al. J Phys Chem B. 2021 Mar 4;125(8):1973. doi: 10.1021/acs.jpcb.1c00531. Epub 2021 Jan 28. J Phys Chem B. 2021. PMID: 33508191 No abstract available.

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