D. McCann

发表

Determination of the absolute configuration of [3(2)](1,4)barrelenophanedicarbonitrile using concerted time-dependent density functional theory calculations of optical rotation and electronic circular dichroism.

M. Frisch, P. Stephens, D. McCann, 2004, Journal of the American Chemical Society.

Determination of absolute configuration using density functional theory calculations of optical rotation and electronic circular dichroism: chiral alkenes.

P. Stephens, D. McCann, P J Stephens, 2006, The Journal of organic chemistry.

Determination of the absolute configurations of natural products via density functional theory calculations of optical rotation, electronic circular dichroism, and vibrational circular dichroism: the cytotoxic sesquiterpene natural products quadrone, suberosenone, suberosanone, and suberosenol A ace

P. Stephens, D. McCann, F. Devlin, 2006, Journal of natural products.

Determination of molecular structure using vibrational circular dichroism spectroscopy: the keto-lactone product of Baeyer-Villiger oxidation of (+)-(1R,5S)-bicyclo[3.3.1]nonane-2,7-dione.

P. Stephens, D. McCann, F. Devlin, 2005, The Journal of organic chemistry.

Determination of absolute configurations of chiral molecules using ab initio time-dependent Density Functional Theory calculations of optical rotation: how reliable are absolute configurations obtained for molecules with small rotations?

M. Frisch, P. Stephens, D. McCann, 2005, Chirality.

Determination of absolute configuration using density functional theory calculation of optical rotation: chiral alkanes.

P. Stephens, D. McCann, J. Cheeseman, 2004, The Journal of organic chemistry.

A complete catalytic cycle for supramolecular methanol-to-olefins conversion by linking theory with experiment.

D. McCann, V. Van Speybroeck, M. Waroquier, 2008, Angewandte Chemie.

Selective Deep Catalytic Cracking Process of Hydrocarbon Feedstocks for the Production of Light Olefins: II. Cooperative Effect of Thermal Cracking and Catalytic Reactions Observed in a 1-Zone Reactor

D. McCann, R. Le Van Mao, D. Ohayon, 2002 .

Determination of absolute configuration using concerted ab Initio DFT calculations of electronic circular dichroism and optical rotation: bicyclo[3.3.1]nonane diones.

M. Frisch, P. Stephens, D. McCann, 2004, The Journal of organic chemistry.

A complete catalytic cycle for supramolecular methanol-to-olefins conversion by linking theory with experiment.

D. McCann, V. Van Speybroeck, M. Waroquier, 2008, Angewandte Chemie.