Pescitelli G - Search Results

1

Good Computational Practice in the Assignment of Absolute Configurations by TDDFT Calculations of ECD Spectra.

Pescitelli G, Bruhn T. Pescitelli G, et al. Chirality. 2016 Jun;28(6):466-74. doi: 10.1002/chir.22600. Epub 2016 Apr 20. Chirality. 2016. PMID: 27098594

2

Conformational investigation of two isomeric chiral porphyrins: a convergent approach with different techniques.

di Bari L, Pescitelli G, Reginato G, Salvadori P. di Bari L, et al. Among authors: pescitelli g. Chirality. 2001;13(9):548-55. doi: 10.1002/chir.1176. Chirality. 2001. PMID: 11579448

3

Assignment of absolute configuration of chiral carboxylic acids via exciton-coupled CD treatment: 4-phenylthioproline as a case study.

Di Bari L, Mannucci S, Pescitelli G, Salvadori P. Di Bari L, et al. Among authors: pescitelli g. Chirality. 2002 Aug;14(8):611-7. doi: 10.1002/chir.10086. Chirality. 2002. PMID: 12125029

4

Absolute stereochemistry assignment of N-phosphorylimine-derived aza-Diels-Alder adducts with TDDFT CD calculations.

Di Bari L, Guillarme S, Hermitage S, Jay DA, Pescitelli G, Whiting A. Di Bari L, et al. Among authors: pescitelli g. Chirality. 2005 Jun;17(6):323-31. doi: 10.1002/chir.20167. Chirality. 2005. PMID: 15856435

5

The prediction of the circular dichroism of the benzene chromophore: TDDFT calculations and sector rules.

Pescitelli G, Di Bari L, Caporusso AM, Salvadori P. Pescitelli G, et al. Chirality. 2008 Mar;20(3-4):393-9. doi: 10.1002/chir.20460. Chirality. 2008. PMID: 17724654

6

Circular dichroism of tocopherols versus tocotrienols.

Mazzini F, Pescitelli G, Di Bari L, Netscher T, Salvadori P. Mazzini F, et al. Among authors: pescitelli g. Chirality. 2009 Jan;21(1):35-43. doi: 10.1002/chir.20591. Chirality. 2009. PMID: 18561250

7

Assignment of the absolute configuration of zwitterionic and neutral macropodumines by means of TDDFT CD calculations.

Guo YW, Kurtán T, Krohn K, Pescitelli G, Zhang W. Guo YW, et al. Among authors: pescitelli g. Chirality. 2009 Jun;21(6):561-8. doi: 10.1002/chir.20626. Chirality. 2009. PMID: 18726942

8

Determination of the absolute configurations at stereogenic centers in the presence of axial chirality.

Polavarapu PL, Jeirath N, Kurtán T, Pescitelli G, Krohn K. Polavarapu PL, et al. Among authors: pescitelli g. Chirality. 2009;21 Suppl 1:E202-7. doi: 10.1002/chir.20797. Chirality. 2009. PMID: 19899152

9

Absolute structural elucidation of natural products--a focus on quantum-mechanical calculations of solid-state CD spectra.

Pescitelli G, Kurtán T, Flörke U, Krohn K. Pescitelli G, et al. Chirality. 2009;21 Suppl 1:E181-201. doi: 10.1002/chir.20795. Chirality. 2009. PMID: 19902530 Review.

10

Systematic investigation of CD spectra of aryl benzyl sulfoxides interpreted by means of TDDFT calculations.

Pescitelli G, Di Pietro S, Cardellicchio C, Capozzi MA, Di Bari L. Pescitelli G, et al. J Org Chem. 2010 Feb 19;75(4):1143-54. doi: 10.1021/jo902363c. J Org Chem. 2010. PMID: 20099930

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