Reduced-size polarized basis sets for calculations of molecular electric properties. I. The basis set generation von Benkova, Zuzana, Sadlej, Andrzej J., Oakes, Roma E., Bell, Steven E. J.

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Reduced-size polarized basis sets for calculations of molecular electric properties. II. Simulation of the Raman spectra von Oakes, Roma E., Bell, Steven E. J., Benkova, Zuzana, Sadlej, Andrzej J.

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Resonance Raman and DFT Studies of Tetra-tert-butyl Porphine:  Assignment of Strongly Enhanced Distortion Modes in a Ruffled Porphyrin von Oakes, Roma E, Spence, Stephen J, Bell, Steven E. J

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DFT Studies of the Resonance Raman Spectra of Ground and Excited Triplet State Free Base m eso-Tetraphenylporphyrin (H2TPP) von Oakes, Roma E, Bell, Steven E. J

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DFT Studies of the Resonance Raman Spectra of Ground and Excited Triplet State Free Base meso-Tetraphenylporphyrin (H2TPP) von OAKES, Roma E., BELL, Steven E. J.

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Reduced–size polarized basis sets for calculations of molecular electric properties. III. Second–row atoms von Benkova, Zuzana, Sadlej, Andrzej J., Oakes, Roma E., Bell, Steven E. J.

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Examination of the conformational restraints to a chiral diimine bridged 2,2′-bipyridine von Prabaharan, Ravi, Oakes, Roma E., Fletcher, Nicholas C., Nieuwenhuyzen, Mark

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Conformations, vibrational frequencies and Raman intensities of short-chain fatty acid methyl esters using DFT with 6-31G(d) and Sadlej pVTZ basis sets von Oakes, Roma E, Renwick Beattie, J, Moss, Bruce W, Bell, Steven E.J

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DFT studies of long-chain FAMEs: theoretical justification for determining chain length and unsaturation from experimental Raman spectra von Oakes, Roma E., Renwick Beattie, J., Moss, Bruce W., Bell, Steven E.J.

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