Publications 2016

	Title	Authors	Journal or Book	Vol.	Page	Year
	How the Zundel (H5O+2) Potential Can Be Used to Predict the Proton Stretch and Bend Frequencies of Larger Protonated Water Clusters	Q. Yu and J. M. Bowman	J. Phys. Chem. Lett	7	5259	2016
	Ab Initio Potential for H3O+ → H+ + H2O: A Step to a Many-Body Representation of the Hydrated Proton?	Q. Yu and J. M. Bowman	J. Chem. Theory Comput.	12	5284	2016
	Velocity map imaging of OH radical products from IR activated (CH3)2COO Criegee intermediates	H. Li, N. M. Kidwell, M. I. Lester, X. Wang, and J. M. Bowman	J. Chem. Phys.	145	104307	2016
	Calculations of the IR spectra of bend fundamentals of (H2O)n=3,4,5 using the WHBB_2 potential and dipole moment surfaces	Y. Wang and J. M. Bowman	Phys. Chem. Chem. Phys.	18	24057	2016
	Two Pathways for Dissociation of Highly Energized syn-CH3CHOO to OH Plus Vinoxy	X. Wang and J. M. Bowman	J. Phys. Chem. Lett.	7	3359	2016
	Full-dimensional quantum dynamics of CO in collision with H2	B. H. Yang, N. Balakrishnan, P. Zhang, X. Wang, J. M. Bowman, R. C. Forrey, and P. C. Stancil	J. Chem. Phys.	145	034308	2016
	Full-dimensional quantum dynamics of rovibrationally inelastic scattering between CN and H2	B. Yang, X. H. Wang, P. C. Stancil, J. M. Bowman, N. Balakrishnan, and R. C. Forrey	J. Chem. Phys.	145	224307	2016
	Calculating Feshbach resonances in HCO using an extension of Qim-path theory	X. Wang and J. M. Bowman	Int. J. Quantum Chem.	117	139	2016
	An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces	C. Qu and J. M. Bowman	Phys. Chem. Chem. Phys.	ahead of print		2016
	Differences in the Vibrational Dynamics of H2O and D2O: Observation of Symmetric and Antisymmetric Stretching Vibrations in Heavy Water	L. De Marco, W. Carpenter, H. Liu, R. Biswas, J. M. Bowman, and A. Tokmakoff	Phys. Chem. Lett.	7	1769	2016
	Unimolecular dissociation dynamics of vibrationally activated CH3CHOO Criegee intermediates to OH radical products	N. M. Kidwell, H. Li, X. Wang, J. M. Bowman, and M. I. Lester	Nature Chem.	8	509	2016
	Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions	Y. Wang, J. M. Bowman, and E. Kamarchik	J. Chem. Phys.	144	114311	2016
	Ultraviolet Photodissociation Dynamics of the 1-Propenyl Radical	M. Lucas, Y. Song, J. Zhang, C. Brazier, P. L. Houston, and J. M. Bowman	J. Phys. Chem. A	120	5248	2016
	The Quantum Local Monomer IR Spectrum of Liquid D2O at 300 K from 0 to 4000 cm-1 is in Near Quantitative Agreement with Experiment	H. Liu, Y. Wang, and J. M. Bowman	J. Phys. Chem. B	120	2824	2016
	Roaming Under the Microscope: Trajectory Study of Formaldehyde Dissociation	P. L. Houston, R. Conte, and J. M. Bowman	J. Phys. Chem. A	120	5103	2016
	Revisiting Adiabatic Switching for Initial Conditions in Quasi-Classical Trajectory Calculations: Application to CH4	C. Qu and J. M. Bowman	J. Phys. Chem. A	120	4988	2016
	Energetics and Predissociation Dynamics of Small Water, HCl, and Mixed HCl−Water Clusters	A. K. Samanta, Y. Wang, J. S. Mancini, J. M. Bowman, and H. Reisler	Chem.Rev.	116	4913	2016
	Ab Initio, Embedded Local-Monomer Calculations of Methane Vibrational Energies in Clathrate Hydrates	C. Qu and J. M. Bowman	J. Phys. Chem. C	120	3167	2016
	Transferable ab Initio Dipole Moment for Water: Three Applications to Bulk Water	H. Liu, Y. Wang, and J. M. Bowman	J. Phys. Chem. B	120	1735	2016