Skip to main page content
Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

MyNCBI Filters
Text availability
Article attribute
Article type
Publication date

Search Results

291 results
Filters applied: . Clear all Results are displayed in a computed author sort order. Results by year timeline is unavailable
Page 1
Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism and optical rotation: the schizozygane alkaloid schizozygine.
Stephens PJ, Pan JJ, Devlin FJ, Urbanová M, Hájícek J. Stephens PJ, et al. J Org Chem. 2007 Mar 30;72(7):2508-24. doi: 10.1021/jo062567p. Epub 2007 Mar 6. J Org Chem. 2007. PMID: 17338574
Determination of the absolute configurations of pharmacological natural products via density functional theory calculations of vibrational circular dichroism: the new cytotoxic iridoid prismatomerin.
Stephens PJ, Pan JJ, Krohn K. Stephens PJ, et al. J Org Chem. 2007 Sep 28;72(20):7641-9. doi: 10.1021/jo071183b. Epub 2007 Sep 5. J Org Chem. 2007. PMID: 17784774
The VCD spectrum of the acetate derivative of 3, 4, is analyzed using the Stephens theory of VCD and density functional theory (DFT). ...
The VCD spectrum of the acetate derivative of 3, 4, is analyzed using the Stephens theory of VCD and density functional theory (DFT). …
Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: the iso-schizozygane alkaloids isoschizogaline and isoschizogamine.
Stephens PJ, Pan JJ, Devlin FJ, Urbanová M, Julínek O, Hájícek J. Stephens PJ, et al. Chirality. 2008 Mar;20(3-4):454-70. doi: 10.1002/chir.20466. Chirality. 2008. PMID: 17853399
The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy.
Stephens PJ, Devlin FJ, Pan JJ. Stephens PJ, et al. Chirality. 2008 May 15;20(5):643-63. doi: 10.1002/chir.20477. Chirality. 2008. PMID: 17955495 Review.
The only reliable methodology developed to date uses the Stephens quantum-mechanical theory of the rotational strengths of fundamental vibrational transitions, developed in the early 1980s, implemented using ab initio density functional theory in the GAUSSIAN program in the mid 1990s. ...
The only reliable methodology developed to date uses the Stephens quantum-mechanical theory of the rotational strengths of fundamenta …
Determination of the absolute configuration of a chiral oxadiazol-3-one calcium channel blocker, resolved using chiral chromatography, via concerted density functional theory calculations of its vibrational circular dichroism, electronic circular dichroism, and optical rotation.
Stephens PJ, Devlin FJ, Gasparrini F, Ciogli A, Spinelli D, Cosimelli B. Stephens PJ, et al. J Org Chem. 2007 Jun 22;72(13):4707-15. doi: 10.1021/jo070302k. Epub 2007 May 22. J Org Chem. 2007. PMID: 17516678
291 results
Jump to page
Feedback