Cheeseman JR - Search Results

1

Can One Measure Resonance Raman Optical Activity?

Li G, Alshalalfeh M, Yang Y, Cheeseman JR, Bouř P, Xu Y. Li G, et al. Among authors: cheeseman jr. Angew Chem Int Ed Engl. 2021 Sep 27;60(40):22004-22009. doi: 10.1002/anie.202109345. Epub 2021 Aug 27. Angew Chem Int Ed Engl. 2021. PMID: 34347923

2

Unusual binary aggregates of perylene bisimide revealed by their electronic transitions in helium nanodroplets and DFT calculations.

Izadnia S, LaForge AC, Stienkemeier F, Cheeseman JR, Bloino J, Cheramy J, Jäger W, Xu Y. Izadnia S, et al. Among authors: cheeseman jr. Phys Chem Chem Phys. 2021 Jun 30;23(25):13862-13872. doi: 10.1039/d1cp01923f. Phys Chem Chem Phys. 2021. PMID: 34159991

3

Conformations of Steroid Hormones: Infrared and Vibrational Circular Dichroism Spectroscopy.

Yang Y, Krin A, Cai X, Poopari MR, Zhang Y, Cheeseman JR, Xu Y. Yang Y, et al. Among authors: cheeseman jr. Molecules. 2023 Jan 12;28(2):771. doi: 10.3390/molecules28020771. Molecules. 2023. PMID: 36677830 Free PMC article.

4

Calculation of Raman optical activity spectra of methyl-β-D-glucose incorporating a full molecular dynamics simulation of hydration effects.

Cheeseman JR, Shaik MS, Popelier PL, Blanch EW. Cheeseman JR, et al. J Am Chem Soc. 2011 Apr 6;133(13):4991-7. doi: 10.1021/ja110825z. Epub 2011 Mar 14. J Am Chem Soc. 2011. PMID: 21401137

5

Basis Set Dependence of Vibrational Raman and Raman Optical Activity Intensities.

Cheeseman JR, Frisch MJ. Cheeseman JR, et al. J Chem Theory Comput. 2011 Oct 11;7(10):3323-34. doi: 10.1021/ct200507e. Epub 2011 Sep 25. J Chem Theory Comput. 2011. PMID: 26598166

6

Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems.

Giovannini T, Olszówka M, Egidi F, Cheeseman JR, Scalmani G, Cappelli C. Giovannini T, et al. Among authors: cheeseman jr. J Chem Theory Comput. 2017 Sep 12;13(9):4421-4435. doi: 10.1021/acs.jctc.7b00628. Epub 2017 Aug 18. J Chem Theory Comput. 2017. PMID: 28767240

7

Increased accuracy of vibrational circular dichroism calculations for isotopically labeled helical peptides.

Cheeseman JR, Frisch MJ, Keiderling TA. Cheeseman JR, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2024 May 15;313:124097. doi: 10.1016/j.saa.2024.124097. Epub 2024 Feb 29. Spectrochim Acta A Mol Biomol Spectrosc. 2024. PMID: 38457873 Free article.

8

Ab initio prediction of optical rotation: comparison of density functional theory and Hartree-Fock methods for three 2,7,8-trioxabicyclo[3.2.1]octanes.

Stephens PJ, Devlin FJ, Cheeseman JR, Frisch MJ. Stephens PJ, et al. Among authors: cheeseman jr. Chirality. 2002 May 5;14(4):288-96. doi: 10.1002/chir.10039. Chirality. 2002. PMID: 11968068

9

Configurational and conformational analysis of chiral molecules using IR and VCD spectroscopies: spiropentylcarboxylic acid methyl ester and spiropentyl acetate.

Devlin FJ, Stephens PJ, Osterle C, Wiberg KB, Cheeseman JR, Frisch MJ. Devlin FJ, et al. Among authors: cheeseman jr. J Org Chem. 2002 Nov 15;67(23):8090-6. doi: 10.1021/jo020225n. J Org Chem. 2002. PMID: 12423137

10

Determination of absolute configuration using optical rotation calculated using density functional theory.

Stephens PJ, Devlin FJ, Cheeseman JR, Frisch MJ, Rosini C. Stephens PJ, et al. Among authors: cheeseman jr. Org Lett. 2002 Dec 26;4(26):4595-8. doi: 10.1021/ol0201714. Org Lett. 2002. PMID: 12489938

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