Kathleen McCann

Raman and infrared spectra and theoretical calculations of dipicolinic acid, dinicotinic acid, and their dianions

Kathleen McCann, Jaan Laane · Journal of Molecular Structure · 2008 · 56 citations

Dipicolinic Acid, Biochemistry, Theoretical Calculations +10

Conformational energetics and low-frequency vibrations of cyclohexene and its oxygen analogs

Esther J. Ocola, Teresa Brito, Kathleen McCann et al. · Journal of Molecular Structure · 2009 · 26 citations

Engineering, Conformational Energetics, Natural Sciences +10

Vibrational frequencies and structure of cyclopropenone from ab initio calculations

Juan Yang, Kathleen McCann, Jaan Laane · Journal of Molecular Structure · 2004 · 23 citations

Molecular Spectroscopy, Heterocyclic, Physics +6

Raman signature of the non-hydrogen-bonded tryptophan side chain in proteins: experimental and ab initio spectra of 3-methylindole in the gas phase

Amanda Combs, Kathleen McCann, Daniel Autrey et al. · Journal of Molecular Structure · 2004 · 17 citations

Protein Chemistry, Molecular Spectroscopy, Protein Assembly +7

Spectroscopic investigations and potential energy surfaces of the ground and excited electronic states of 1,3-benzodioxan

Kathleen McCann, Martin Wagner, Aaron Guerra et al. · The Journal of Chemical Physics · 2009 · 12 citations