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 | 1484 | 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 | 519 | 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 | 317 | 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 | 303 | 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 | 266 | 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 | 174 | 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 | 155 | 2017 |
Ab initio potential energy and dipole moment surfaces of (H2O) 2 X Huang, BJ Braams, JM Bowman The Journal of Physical Chemistry A 110 (2), 445-451, 2006 | 149 | 2006 |
Highly Accurate Quartic Force Fields, Vibrational Frequencies, and Spectroscopic Constants for Cyclic and Linear C3H3+ X Huang, PR Taylor, TJ Lee The Journal of Physical Chemistry A 115 (19), 5005-5016, 2011 | 146 | 2011 |
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 | 144 | 2011 |
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 | 144 | 2009 |
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 | 143 | 2008 |
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 | 136 | 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 | 132 | 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 | 129 | 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 | 121 | 2016 |
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 | 110 | 2010 |
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 | 105 | 2012 |
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 | 104 | 2004 |