| 1 |
Ab Initio Coupled Cluster Determination of the Equilibrium Structures of cis- and trans-1,2-Difluoroethylene and 1,1-Difluoroethylene
Feller D, Craig NC, Groner P, McKean DC
Journal of Physical Chemistry A, 115(1), 94, 2011 |
| 2 |
Infrared Spectra of CF2=CHD and CF2=CD2: Scaled Quantum-Chemical Force Fields and an Equilibrium Structure for 1,1-Difluoroethylene
McKean DC, Law MM, Groner P, Conrad AR, Tubergen MJ, Feller D, Moore MC, Craig NC
Journal of Physical Chemistry A, 114(34), 9309, 2010 |
| 3 |
Infrared Spectra of (CF2)-C-12=(CH2)-C-12 and (CF2)-C-12=(CH2)-C-13, Quantum-Chemical Calculations of Anharmonicity, and Analyses of Resonances
McKean DC, van der Veken B, Herrebout W, Law MM, Brenner MJ, Nemchick DJ, Craig NC
Journal of Physical Chemistry A, 114(18), 5728, 2010 |
| 4 |
Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicity
McKean DC, Craig NC, Law MM
Journal of Physical Chemistry A, 112(29), 6760, 2008 |
| 5 |
Vibrational anharmonicity and harmonic force fields for dichloromethane from quantum-chemical calculations
McKean DC, Craig NC, Law MM
Journal of Physical Chemistry A, 112(40), 10006, 2008 |
| 6 |
Vibrational spectroscopy of 1,1-difluorocyclopropane-d(0), -d(2), and -d(4): The equilibrium structure of difluorocyclopropane
Craig NC, Feller D, Groner P, Hsin HY, McKean DC, Nemchick DJ
Journal of Physical Chemistry A, 111(13), 2498, 2007 |
| 7 |
Equilibrium structures for butadiene and ethylene: Compelling evidence for II-electron delocalization in butadiene
Craig NC, Groner P, McKean DC
Journal of Physical Chemistry A, 110(23), 7461, 2006 |
| 8 |
s-trans-1,3-butadiene and isotopomers: Vibrational spectra, scaled quantum-chemical force fields, fermi resonances, and C-H bond properties
McKean DC, Craig NC, Panchenko YN
Journal of Physical Chemistry A, 110(26), 8044, 2006 |
| 9 |
Quantum chemical studies of the structures and vibrations of trisilylmethane and tetrasilylmethane
McKean DC
Journal of Physical Chemistry A, 108(21), 4744, 2004 |
| 10 |
Infrared spectra and quantum-chemical studies of disilylmethanes
McKean DC
Journal of Physical Chemistry A, 107(34), 6538, 2003 |
