Publications 2018

 

	Title	Authors	Journal or Book	Vol.	Page	Year
	Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H9O4+ Cation with Two-Color, IR-IR Double-Resonance Photoexcitation: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core	C. H. Duong, N. Yang, P. J. Kelleher, M. A. Johnson, R. J. DiRisio, A. B. McCoy, Q. Yu, J. M. Bowman, B. V. Henderson and K. D. Jordan	J. Phys. Chem.	122	9275	2018
	Benchmark Electronic Structure Calculations for H3O=(H2O)n, n=0-5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body Correction	J. P. Heindel, Q. Yu, J. M. Bowman and S. S. Xantheas	J. Chem. Theory Comput.	14	4553	2018
	Spectral analyses of trans- and cis-DOCO transients via comb spectroscopy	T. Q. Bui, P. B. Changala, B. J. Bjork, Q. Yu, Y. Wang, J. F. Stanton, J. Bowman and J. Ye	Mol. Phys.	116	3710	2018
	Predissociation dynamics of the HCl-(H2O)3 tetramer: An experimental and theoretical investigation	K. Zuraski, Q. Wang, D. Kwasniewski, J. M. Bowman and H. Reisler	J. Chem. Phys.	148	204303	2018
	Assessing Gaussian Process Regression and Permutationally Invariant Polynomial Approaches to Represent High-Dimensional Potential Energy Surfaces	C. Qu, Q. Yu, B. L. Van Hoozen, J. M. Bowman and R. A. Vargas-Hernandez	J. Chem. Theory Comput	14	3381-3396	2018
	Teaching Vibrational Spectra to Assign Themselves	P. Houston, J. B. L. Van Hoozen, Q. Chen, Q. Yu and J. M. Bowman	Faraday Discuss.	212	65	2018
	Quantum and Classical IR Spectra of (HCOOH)2, (DCOOH)2 and (DCOOD)2 using Ab Initio Potential Energy and Dipole Moment Surfaces	Q. Chen and J. M. Bowman	Faraday Discuss.	212	33	2018
	IR Spectra of (HCOOH)2 and (DCOOH)2: Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole Moment Surfaces	C. Qu and J. M. Bowman	J. Phys. Chem. Lett.	9	2604-2610	2018
	Adiabatic Switching Applied to the Vibrations of Syn-CH3CHOO and Implications for “Zero-Point Leak” and Isomerization in Quasiclassical Trajectory Calculations	C. Qu, A. Nandi, and J. M. Bowman	Advances in Chemical Physics, First Edition, ed. by K.B. Whaley	163		2018
	High-dimensional fitting of sparse datasets of CCSD(T) electronic energies and MP2 dipole moments, illustrated for the formic acid dimer and its complex IR spectrum	C. Qu and J. M. Bowman	J. Chem. Phys.	148	241713	2018
	Permutationally Invariant Potential Energy Surfaces	C. Qu, Q. Yu, and J. M. Bowman	Annu. Rev. Phys. Chem.	69	151	2018
	Keiji Morokuma	J. M. Bowman, J. Musaev, and H. Nakatsuji	J. Phys. Chem.	122	880	2018
	Full-Dimensional Quantum Dynamics of SiO in Collision with H2	J. M. Bowman, N. Balakrishnan, B. M. McLaughlin, and R. C. Forrey	J. Phys. Chem.	122	1511	2018
	Deconstructing Prominent Bands in the Terahertz Spectra of H7O3+ and H9O4+: Intermolecular Modes in Eigen Clusters	T. K. Esser, H. Knorke, K. R. Asmis, W. Schollkopf, Q. Yu, C. Qu, J. M. Bowman, and M. Kaledin	Phys. Chem. Lett	9	798	2018