Vaccaro PH - Search Results

1

A tale of two carenes: intrinsic optical activity and large-amplitude nuclear displacement.

Lahiri P, Wiberg KB, Vaccaro PH. Lahiri P, et al. Among authors: vaccaro ph. J Phys Chem A. 2012 Sep 27;116(38):9516-33. doi: 10.1021/jp303270d. Epub 2012 Sep 14. J Phys Chem A. 2012. PMID: 22888793

2

Conformational effects on optical rotation. 3-substituted 1-butenes.

Wiberg KB, Vaccaro PH, Cheeseman JR. Wiberg KB, et al. Among authors: vaccaro ph. J Am Chem Soc. 2003 Feb 19;125(7):1888-96. doi: 10.1021/ja0211914. J Am Chem Soc. 2003. PMID: 12580616

3

Nonresonant optical activity of isolated organic molecules.

Wilson SM, Wiberg KB, Cheeseman JR, Frisch MJ, Vaccaro PH. Wilson SM, et al. Among authors: vaccaro ph. J Phys Chem A. 2005 Dec 29;109(51):11752-64. doi: 10.1021/jp054283z. J Phys Chem A. 2005. PMID: 16366625

4

An exploration of electronic structure and nuclear dynamics in tropolone. I. The X 1A1 ground state.

Burns LA, Murdock D, Vaccaro PH. Burns LA, et al. Among authors: vaccaro ph. J Chem Phys. 2006 May 28;124(20):204307. doi: 10.1063/1.2200343. J Chem Phys. 2006. PMID: 16774332

5

Comparison of CIS- and EOM-CCSD-calculated adiabatic excited-state structures. Changes in charge density on going to adiabatic excited states.

Wiberg KB, Wang YG, de Oliveira AE, Perera SA, Vaccaro PH. Wiberg KB, et al. Among authors: vaccaro ph. J Phys Chem A. 2005 Jan 27;109(3):466-77. doi: 10.1021/jp040558j. J Phys Chem A. 2005. PMID: 16833367

6

Conformational effects on optical rotation. 2-Substituted butanes.

Wiberg KB, Wang YG, Vaccaro PH, Cheeseman JR, Luderer MR. Wiberg KB, et al. Among authors: vaccaro ph. J Phys Chem A. 2005 Apr 21;109(15):3405-10. doi: 10.1021/jp040724n. J Phys Chem A. 2005. PMID: 16833676

7

Chiroptical properties of 2-chloropropionitrile.

Wiberg KB, Wang YG, Wilson SM, Vaccaro PH, Cheeseman JR. Wiberg KB, et al. Among authors: vaccaro ph. J Phys Chem A. 2005 Apr 21;109(15):3448-53. doi: 10.1021/jp0407371. J Phys Chem A. 2005. PMID: 16833682

8

Sum-over-states calculation of the specific rotations of some substituted oxiranes, chloropropionitrile, ethane, and norbornenone.

Wiberg KB, Wang YG, Wilson SM, Vaccaro PH, Cheeseman JR. Wiberg KB, et al. Among authors: vaccaro ph. J Phys Chem A. 2006 Dec 28;110(51):13995-4002. doi: 10.1021/jp0655221. J Phys Chem A. 2006. PMID: 17181361

9

Effect of substituents and conformations on the optical rotations of cyclic oxides and related compounds. relationship between the anomeric effect and optical rotation.

Wiberg KB, Wilson SM, Wang YG, Vaccaro PH, Cheeseman JR, Luderer MR. Wiberg KB, et al. Among authors: vaccaro ph. J Org Chem. 2007 Aug 3;72(16):6206-14. doi: 10.1021/jo070816j. Epub 2007 Jul 12. J Org Chem. 2007. PMID: 17628107

10

The effects of conformation and solvation on optical rotation: substituted epoxides.

Wilson SM, Wiberg KB, Murphy MJ, Vaccaro PH. Wilson SM, et al. Among authors: vaccaro ph. Chirality. 2008 Mar;20(3-4):357-69. doi: 10.1002/chir.20448. Chirality. 2008. PMID: 17663434

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