Publications 2008

	Title	Authors	Journal or Book	Vol.	Page	Year
	Photodissociation dynamics of formaldehyde initiated at the T1/S0 minimum energy crossing configurations	B. C. Shepler, E. Epifanovsky, P. Zhang, J. M. Bowman, A. I. Krylov, and K. Morokuma	J. Phys. Chem. A	112	13267	2008
	One-dimensional tunneling calculations in the imaginary-frequnecy, rectilinear saddle-point normal mode	Y.-M. Wang and J. M. Bowman	J. Chem. Phys.	129	121103	2008
	Variational quantum approaches for computing vibrational energies of polyatomic molecules [Invited Topical Review]	J. M. Bowman, T. Carrington, and H.-D. Meyer	Mol. Phys.	106	2145	2008
	“Roaming” dynamics in CH3CHO photodissociation revealed on a global potential energy surface	B. C. Shepler, B. J. Braams, and J. M. Bowman	J. Phys. Chem. A	112	9344	2008
	Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation	B. R. Heazlewood, M. J. T. Jordan, S. H. Kable, T. M. Selby, D. L. Osborn, B. C. Shepler, B. J. Braams, and J. M. Bowman	PNAS	105	12719	2008
	Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F–-CH4 anion complex	G. Czako, B. J. Braams, and J. M. Bowman	J. Phys. Chem. A	112	7466	2008
	Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface	Y. Wang, B. J. Braams, J. M. Bowman, S. Carter, and D. P. Tew	J. Chem. Phys.	128	224314	2008
	The theoretical prediction of infrared spectra of trans- and cis-hydroxycarbene calculated using full dimensional ab initio potential energy and dipole moment surfaces	L. Koziol, Y. M. Wang, B. J. Braams, J. M. Bowman, and A. I. Krylov	J. Chem. Phys.	128	204310	2008
	Further aspects of the roaming mechanism in formaldehyde dissociation	S. A. Lahankar, V. Goncharov, F. Suits, J. D. Farnum, J. M. Bowman, and A. G. Suits	Chem. Phys.	347	288	2008
	Probing the structure of CH5+ by dissociative charge exchange	J. E. Mann, Z. Xie, J. D. Savee, B. J. Braams, J. M. Bowman, and R. E. Continetti	J. Am. Chem. Soc.	130	3730	2008
	Vibrational ground state properties of H–5+ and its isotopomers from diffusion Monte Carlo calculations	P. H. Acioli, Z. Xie, B. J. Braams, and J. M. Bowman	J. Chem. Phys.	128	104318	2008
	MULTIMODE quantum calculations of intramolecular vibrational energies of the water dimer and trimer using ab initio-based potential energy surfaces	Y. Wang, S. Carter, B. J. Braams, and J. M. Bowman	J. Chem. Phys.	128	071101	2008
	New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2	X. Huang, B. J. Braams, J. M. Bowman, R. E. A. Kelly, J. Tennyson, G. C. Groenenboom, and A. van Der Avoird	J. Chem. Phys.	128	034312	2008
	Comparison of quantum, classical, and ring-polymer molecular dynamics infra-red spectra of Cl–(H2O) and H+(H2O)2	X. C. Huang, S. Habershon, and J. M. Bowman	Chem. Phys. Lett.	450	253	2008
	Beyond Born-Oppenheimer [Invited Perspective]	J. M. Bowman	Science	319	40	2008