Roy TK - Search Results

1

Infrared Fingerprint and Unimolecular Decay Dynamics of the Hydroperoxyalkyl Intermediate (•QOOH) in Cyclopentane Oxidation.

Qian Y, Roy TK, Valente DS, Cruz EM, Kozlowski MC, Della Libera A, Klippenstein SJ, Lester MI. Qian Y, et al. Among authors: roy tk. J Phys Chem A. 2024 Oct 24;128(42):9240-9250. doi: 10.1021/acs.jpca.4c05677. Epub 2024 Oct 15. J Phys Chem A. 2024. PMID: 39405476

2

Isomer-resolved unimolecular dynamics of the hydroperoxyalkyl intermediate (•QOOH) in cyclohexane oxidation.

Qian Y, Roy TK, Jasper AW, Sojdak CA, Kozlowski MC, Klippenstein SJ, Lester MI. Qian Y, et al. Among authors: roy tk. Proc Natl Acad Sci U S A. 2024 Apr 16;121(16):e2401148121. doi: 10.1073/pnas.2401148121. Epub 2024 Apr 11. Proc Natl Acad Sci U S A. 2024. PMID: 38602914 Free PMC article.

3

Infrared signature of the hydroperoxyalkyl intermediate (·QOOH) in cyclohexane oxidation: An isomer-resolved spectroscopic study.

Roy TK, Qian Y, Sojdak CA, Kozlowski MC, Klippenstein SJ, Lester MI. Roy TK, et al. J Chem Phys. 2024 Jul 21;161(3):034302. doi: 10.1063/5.0219431. J Chem Phys. 2024. PMID: 39007377

4

Infrared spectroscopy of the syn-methyl-substituted Criegee intermediate: A combined experimental and theoretical study.

Zou M, Hassan Y, Roy TK, McCoy AB, Lester MI. Zou M, et al. Among authors: roy tk. J Chem Phys. 2024 May 28;160(20):204309. doi: 10.1063/5.0210122. J Chem Phys. 2024. PMID: 38818894

5

A five-carbon unsaturated Criegee intermediate: synthesis, spectroscopic identification, and theoretical study of 3-penten-2-one oxide.

Roy TK, Liu T, Qian Y, Sojdak CA, Kozlowski MC, Lester MI. Roy TK, et al. Chem Sci. 2023 Sep 5;14(38):10471-10477. doi: 10.1039/d3sc03993e. eCollection 2023 Oct 4. Chem Sci. 2023. PMID: 37800006 Free PMC article.

6

Vibrational spectroscopy and dissociation dynamics of cyclohexyl hydroperoxide.

Roy TK, Qian Y, Karlsson E, Rabayah R, Sojdak CA, Kozlowski MC, Karsili TNV, Lester MI. Roy TK, et al. Chem Sci. 2024 Mar 20;15(16):6160-6167. doi: 10.1039/d4sc00151f. eCollection 2024 Apr 24. Chem Sci. 2024. PMID: 38665513 Free PMC article.

7

Energetic and Spectroscopic Properties of Astrophysically Relevant MgC₄H Radicals Using High-Level Ab Initio Calculations.

Roy T, Satpati S, Sinjari A, Anoop A, Thimmakondu VS, Ghosal S. Roy T, et al. J Phys Chem A. 2024 Feb 29;128(8):1466-1476. doi: 10.1021/acs.jpca.3c06828. Epub 2024 Feb 16. J Phys Chem A. 2024. PMID: 38364260 Free PMC article.

8

Vibrational Spectroscopy of Benzonitrile-(Water)_1-2 Clusters in Helium Droplets.

Khatri J, Roy TK, Chatterjee K, Schwaab G, Havenith M. Khatri J, et al. Among authors: roy tk. J Phys Chem A. 2021 Aug 19;125(32):6954-6963. doi: 10.1021/acs.jpca.1c04553. Epub 2021 Aug 6. J Phys Chem A. 2021. PMID: 34355893

9

Stepwise Microhydration of Isoxazole: Infrared Spectroscopy of Isoxazole-(Water)_n≤2 Clusters in Helium Nanodroplets.

Roy TK, Chatterjee K, Khatri J, Schwaab G, Havenith M. Roy TK, et al. J Phys Chem A. 2021 Jun 10;125(22):4766-4774. doi: 10.1021/acs.jpca.1c01974. Epub 2021 May 26. J Phys Chem A. 2021. PMID: 34038117

10

Internal Electric Field-Induced Formation of Exotic Linear Acetonitrile Chains.

Mani D, Roy TK, Khatri J, Schwaab G, Blach S, Hölzl C, Forbert H, Marx D, Havenith M. Mani D, et al. Among authors: roy tk. J Phys Chem Lett. 2022 Jul 28;13(29):6852-6858. doi: 10.1021/acs.jpclett.2c01482. Epub 2022 Jul 21. J Phys Chem Lett. 2022. PMID: 35861316

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