The HITRAN2020 molecular spectroscopic database IE Gordon, LS Rothman, RJ Hargreaves, R Hashemi, EV Karlovets, ...
Journal of quantitative spectroscopy and radiative transfer 277, 107949, 2022
1053 2022 MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules JM Bowman, S Carter, X Huang
International Reviews in Physical Chemistry 22 (3), 533-549, 2003
509 2003 Ab initio potential energy and dipole moment surfaces for H5O2+ X Huang, BJ Braams, JM Bowman
The Journal of chemical physics 122 (4), 2005
311 2005 Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer Y Wang, X Huang, BC Shepler, BJ Braams, JM Bowman
The Journal of chemical physics 134 (9), 2011
297 2011 The vibrational predissociation spectra of the H5O2+∙ RGn (RG= Ar, Ne) clusters: Correlation of the solvent perturbations in the free OH and shared proton transitions of the … NI Hammer, EG Diken, JR Roscioli, MA Johnson, EM Myshakin, ...
The Journal of chemical physics 122 (24), 2005
263 2005 A procedure for computing accurate ab initio quartic force fields: application to HO2+ and H2O X Huang, TJ Lee
The Journal of chemical physics 129 (4), 2008
166 2008 Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond RR Gamache, C Roller, E Lopes, IE Gordon, LS Rothman, OL Polyansky, ...
Journal of Quantitative Spectroscopy and Radiative Transfer 203, 70-87, 2017
146 2017 The trans-HOCO radical: Quartic force fields, vibrational frequencies, and spectroscopic constants RC Fortenberry, X Huang, JS Francisco, TD Crawford, TJ Lee
The Journal of chemical physics 135 (13), 2011
140 2011 Highly Accurate Quartic Force Fields, Vibrational Frequencies, and Spectroscopic Constants for Cyclic and Linear C3 H3 + X Huang, PR Taylor, TJ Lee
The Journal of Physical Chemistry A 115 (19), 5005-5016, 2011
137 2011 New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O) 2 and (D2O) 2 X Huang, BJ Braams, JM Bowman, REA Kelly, J Tennyson, ...
The Journal of chemical physics 128 (3), 2008
134 2008 Accurate ab initio quartic force fields for NH2− and CCH− and rovibrational spectroscopic constants for their isotopologs X Huang, TJ Lee
The Journal of Chemical Physics 131 (10), 2009
133 2009 Quantum deconstruction of the infrared spectrum of CH5+ X Huang, AB McCoy, JM Bowman, LM Johnson, C Savage, F Dong, ...
Science 311 (5757), 60-63, 2006
133 2006 Rovibrational spectra of ammonia. I. Unprecedented accuracy of a potential energy surface used with nonadiabatic corrections X Huang, DW Schwenke, TJ Lee
The Journal of Chemical Physics 134 (4), 2011
127 2011 Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+ RC Fortenberry, X Huang, JS Francisco, TD Crawford, TJ Lee
The Journal of Chemical Physics 136 (23), 2012
120 2012 Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface AB McCoy, X Huang, S Carter, MY Landeweer, JM Bowman
The Journal of chemical physics 122 (6), 2005
115 2005 Ab-initio-based potential energy surfaces for complex molecules and molecular complexes JM Bowman, BJ Braams, S Carter, C Chen, G Czakó, B Fu, X Huang, ...
The Journal of Physical Chemistry Letters 1 (12), 1866-1874, 2010
108 2010 Ab initio diffusion Monte Carlo calculations of the quantum behavior of CH5+ in full dimensionality AB McCoy, BJ Braams, A Brown, X Huang, Z Jin, JM Bowman
The Journal of Physical Chemistry A 108 (23), 4991-4994, 2004
102 2004 An isotopic-independent highly accurate potential energy surface for CO2 isotopologues and an initial 12C16O2 infrared line list X Huang, DW Schwenke, SA Tashkun, TJ Lee
The Journal of chemical physics 136 (12), 2012
100 2012 ExoMol molecular line lists – XIV. The rotation–vibration spectrum of hot SO2 DS Underwood, J Tennyson, SN Yurchenko, X Huang, DW Schwenke, ...
Monthly Notices of the Royal Astronomical Society 459 (4), 3890-3899, 2016
99 2016 The importance of an accurate vibrational partition function in full dimensionality calculations of the reaction JM Bowman, D Wang, X Huang, F Huarte-Larrañaga, U Manthe
The Journal of Chemical Physics 114 (21), 9683-9684, 2001
99 2001