XH
Xinchuan Huang
astro-ph.GAastrochemistryastro-ph.EPcomputational spectroscopyphysics.chem-phastro-ph.SRCarbon Monoxidecoupled cluster theoryCoupled cluster theoryDipole surfaces
On Valency
published · living versionsW_xnftynam·v1 · currentpublished
ExoMol molecular line lists - XIV: The rotation-vibration spectrum of hot SO
with Daniel S. Underwood, Jonathan Tennyson, Sergei N. Yurchenko, David W. Schwenke +3
1 version
Preprints & journals
52 papers in the corpus · 2002–2026A 0.002 cm-1-Accurate PES for 14N216O.42280105 · Huang, Xinchuan, Schwenke, David W2026 · 0 citationsMolecules (Basel, Switzerland). 2026;31(11)
The Discovery of 25 um Interstellar Methanol2508.00059v1 · Sarah L. Nickerson, Naseem Rangwala, Keeyoon Sung et al.2025 · 0 citationsarXiv
The mid-infrared molecular inventory towards Orion IRc22211.15707v1 · Sarah Nickerson, Naseem Rangwala, Sean W. J. Colgan et al.2022 · 18 citationsarXiv
Complete, Theoretical Rovibronic Spectral Characterization of the Carbon Monoxide, Water, and Formaldehyde Cations.36838769 · Davis, Megan C, Huang, Xinchuan, Fortenberry, Ryan C2023 · 11 citationsMolecules (Basel, Switzerland). 2023;28(4)
Ames-2021 CO2 Dipole Moment Surface and IR Line Lists: Toward 0.1% Uncertainty for CO2 IR Intensities.36007245 · Huang, Xinchuan, Schwenke, David W, Freedman, Richard S et al.2022 · 41 citationsThe journal of physical chemistry. A. 2022;126(35):5940-5964
What It Takes to Compute Highly Accurate Rovibrational Line Lists for Use in Astrochemistry.33621060 · Huang, Xinchuan, Schwenke, David W, Lee, Timothy J2021 · 27 citationsAccounts of chemical research. 2021;54(6):1311-1321
Highly Accurate Quartic Force Field and Rovibrational Spectroscopic Constants for the Azirinyl Cation (c-C2NH2+) and Its Isomers.31860305 · Bera, Partha P, Huang, Xinchuan, Lee, Timothy J2020 · 6 citationsThe journal of physical chemistry. A. 2020;124(2):362-370
The Need for Laboratory Measurements and Ab Initio Studies to Aid Understanding of Exoplanetary Atmospheres1905.07064v1 · Jonathan J. Fortney, Tyler D. Robinson, Shawn Domagal-Goldman et al.2019 · 24 citationsarXiv
Towards completing the cyclopropenylidene cycle: rovibrational analysis of cyclic N3+, CNN, HCNN+, and CNC.28812071 · Fortenberry, Ryan C, Lee, Timothy J, Huang, Xinchuan2018 · 6 citationsPhysical chemistry chemical physics : PCCP. 2017;19(34):22860-22869
The anharmonic quartic force field infrared spectra of hydrogenated and methylated PAHs.29242883 · Mackie, Cameron J, Candian, Alessandra, Huang, Xinchuan et al.2018 · 83 citationsPhysical chemistry chemical physics : PCCP. 2018;20(2):1189-1197
The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene.27586928 · Mackie, Cameron J, Candian, Alessandra, Huang, Xinchuan et al.2017 · 80 citationsThe Journal of chemical physics. 2016;145(8):084313
High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons in the 3 {\mu}m region: Role of periphery1609.09325v1 · Elena Maltseva, Annemieke Petrignani, Alessandra Candian et al.2016 · 0 citationsarXiv
ExoMol molecular line lists - XIV: The rotation-vibration spectrum of hot SO$_2$1603.04065v1 · Daniel S. Underwood, Jonathan Tennyson, Sergei N. Yurchenko et al.2016 · 200 citationsMNRAS, 459, 3890-3899 (2016)on Valency
The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene.26671382 · Mackie, Cameron J, Candian, Alessandra, Huang, Xinchuan et al.2016 · 122 citationsThe Journal of chemical physics. 2015;143(22):224314
High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons: the realm of anharmonicity1510.04948v2 · Elena Maltseva, Annemieke Petrignani, Alessandra Candian et al.2015 · 87 citationsarXiv
Linear transformation of anharmonic molecular force constants between normal and Cartesian coordinates.26133410 · Mackie, Cameron J, Candian, Alessandra, Huang, Xinchuan et al.2015 · 29 citationsThe Journal of chemical physics. 2015;142(24):244107
Quartic force field rovibrational analysis of protonated acetylene, C2H3(+), and its isotopologues.25076406 · Fortenberry, Ryan C, Huang, Xinchuan, Crawford, T Daniel et al.2015 · 86 citationsThe journal of physical chemistry. A. 2014;118(34):7034-43
Fundamental vibrational frequencies and spectroscopic constants of cis- and trans-HOCS, HSCO, and isotopologues via quartic force fields.24635494 · Fortenberry, Ryan C, Huang, Xinchuan, McCarthy, Michael C et al.2015 · 19 citationsThe journal of physical chemistry. B. 2014;118(24):6498-510
Highly accurate potential energy surface, dipole moment surface, rovibrational energy levels, and infrared line list for ³²S¹⁶O₂ up to 8000 cm⁻¹.24655184 · Huang, Xinchuan, Schwenke, David W, Lee, Timothy J2014 · 59 citationsThe Journal of chemical physics. 2014;140(11):114311
The 1 3A' HCN and 1 3A' HCO+ vibrational frequencies and spectroscopic constants from quartic force fields.23121098 · Fortenberry, Ryan C, Huang, Xinchuan, Crawford, T Daniel et al.2014 · 27 citationsThe journal of physical chemistry. A. 2013;117(39):9324-30
Anharmonic rovibrational calculations of singlet cyclic C4 using a new ab initio potential and a quartic force field.24329063 · Wang, Xiaohong, Huang, Xinchuan, Bowman, Joel M et al.2014 · 15 citationsThe Journal of chemical physics. 2013;139(22):224302
Limited rotational and rovibrational line lists computed with highly accurate quartic force fields and ab initio dipole surfaces.23692860 · Fortenberry, Ryan C, Huang, Xinchuan, Schwenke, David W et al.2014 · 30 citationsSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 2014;119:76-83
Protonated nitrous oxide, NNOH+: fundamental vibrational frequencies and spectroscopic constants from quartic force fields.24007003 · Huang, Xinchuan, Fortenberry, Ryan C, Lee, Timothy J2014 · 88 citationsThe Journal of chemical physics. 2013;139(8):084313
Dipole surface and infrared intensities for the cis- and trans-HOCO and DOCO radicals.23199284 · Huang, Xinchuan, Fortenberry, Ryan C, Wang, Yimin et al.2014 · 34 citationsThe journal of physical chemistry. A. 2013;117(32):6932-9
Fundamental vibrational frequencies and spectroscopic constants of HOCS+, HSCO+, and isotopologues via quartic force fields.22950849 · Fortenberry, Ryan C, Huang, Xinchuan, Francisco, Joseph S et al.2013 · 76 citationsThe journal of physical chemistry. A. 2012;116(38):9582-90
Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+.22779595 · Fortenberry, Ryan C, Huang, Xinchuan, Francisco, Joseph S et al.2012 · 120 citationsThe Journal of chemical physics. 2012;136(23):234309
An isotopic-independent highly accurate potential energy surface for CO2 isotopologues and an initial (12)C(16)O2 infrared line list.22462861 · Huang, Xinchuan, Schwenke, David W, Tashkun, Sergey A et al.2012 · 99 citationsThe Journal of chemical physics. 2012;136(12):124311
Accurate ab initio quartic force fields of cyclic and bent HC2N isomers.22225159 · Inostroza, Natalia, Huang, Xinchuan, Lee, Timothy J2012 · 39 citationsThe Journal of chemical physics. 2011;135(24):244310
Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: the radical and the anion.22149788 · Fortenberry, Ryan C, Huang, Xinchuan, Francisco, Joseph S et al.2012 · 64 citationsThe Journal of chemical physics. 2011;135(21):214303
The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constants.21992299 · Fortenberry, Ryan C, Huang, Xinchuan, Francisco, Joseph S et al.2012 · 125 citationsThe Journal of chemical physics. 2011;135(13):134301
Highly accurate quartic force fields, vibrational frequencies, and spectroscopic constants for cyclic and linear C3H3(+).21510653 · Huang, Xinchuan, Taylor, Peter R, Lee, Timothy J2011 · 155 citationsThe journal of physical chemistry. A. 2011;115(19):5005-16
Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer.21384987 · Wang, Yimin, Huang, Xinchuan, Shepler, Benjamin C et al.2011 · 276 citationsThe Journal of chemical physics. 2011;134(9):094509
Rovibrational spectra of ammonia. I. Unprecedented accuracy of a potential energy surface used with nonadiabatic corrections.21280738 · Huang, Xinchuan, Schwenke, David W, Lee, Timothy J2011 · 116 citationsThe Journal of chemical physics. 2011;134(4):044320
Rovibrational spectra of ammonia. II. Detailed analysis, comparison, and prediction of spectroscopic assignments for 14NH3, 15NH3, and 14ND3.21280739 · Huang, Xinchuan, Schwenke, David W, Lee, Timothy J2011 · 83 citationsThe Journal of chemical physics. 2011;134(4):044321
Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: application to H2O, N2H+, NO2+, and C2H2.21197977 · Huang, Xinchuan, Valeev, Edward F, Lee, Timothy J2011 · 65 citationsThe Journal of chemical physics. 2010;133(24):244108
Communication: Prediction of the rate constant of bimolecular hydrogen exchange in the water dimer using an ab initio potential energy surface.20866118 · Wang, Yimin, Bowman, Joel M, Huang, Xinchuan2011 · 10 citationsThe Journal of chemical physics. 2010;133(11):111103
An approach to include the effects of diffuse functions in potential energy surface calculations.19702284 · Huang, Xinchuan, Schwenke, David W, Lee, Timothy J2010 · 8 citationsThe journal of physical chemistry. A. 2009;113(43):11954-62
An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH(3).19063558 · Huang, Xinchuan, Schwenke, David W, Lee, Timothy J2009 · 79 citationsThe Journal of chemical physics. 2008;129(21):214304
A procedure for computing accurate ab initio quartic force fields: Application to HO2+ and H2O.18681651 · Huang, Xinchuan, Lee, Timothy J2008 · 172 citationsThe Journal of chemical physics. 2008;129(4):044312
New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2.18205503 · Huang, X, Braams, Bastiaan J, Bowman, Joel M et al.2008 · 117 citationsThe Journal of chemical physics. 2008;128(3):034312
Vibrational levels of methanol calculated by the reaction path version of MULTIMODE, using an ab initio, full-dimensional potential.17439199 · Bowman, Joel M, Huang, Xinchuan, Handy, Nicholas C et al.2007 · 67 citationsThe journal of physical chemistry. A. 2007;111(31):7317-21
Ab initio potential energy and dipole moment surfaces of (H2O)2.16405316 · Huang, Xinchuan, Braams, Bastiaan J, Bowman, Joel M2007 · 131 citationsThe journal of physical chemistry. A. 2006;110(2):445-51
Argon predissociation spectroscopy of the OH-.H2O and Cl-.H2O complexes in the 1000-1900 cm(-1) region: intramolecular bending transitions and the search for the shared-proton fundamental in the hydroxide monohydrate.16833381 · Diken, Eric G, Headrick, Jeffrey M, Roscioli, Joseph R et al.2007 · 57 citationsThe journal of physical chemistry. A. 2005;109(4):571-5
Comment on "Nature of the chemical bond in protonated methane".17311368 · Hinkle, Charlotte E, McCoy, Anne B, Huang, Xinchuan et al.2007 · 8 citationsThe journal of physical chemistry. A. 2007;111(10):2033-4
Quantum studies of the vibrations in H3O2- and D3O2-.16122318 · McCoy, Anne B, Huang, Xinchuan, Carter, Stuart et al.2007 · 95 citationsThe Journal of chemical physics. 2005;123(6):64317
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 Zundel ion.16035751 · Hammer, Nathan I, Diken, Eric G, Roscioli, Joseph R et al.2007 · 253 citationsThe Journal of chemical physics. 2005;122(24):244301
Deuteration effects on the structure and infrared spectrum of CH5(+).16536495 · Huang, Xinchuan, Johnson, Lindsay M, Bowman, Joel M et al.2006 · 47 citationsJournal of the American Chemical Society. 2006;128(11):3478-9
Ab initio potential energy and dipole moment surfaces for H5O2 +.15740249 · Huang, Xinchuan, Braams, Bastiaan J, Bowman, Joel M2006 · 294 citationsThe Journal of chemical physics. 2005;122(4):44308
Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface.15740358 · McCoy, Anne B, Huang, Xinchuan, Carter, Stuart et al.2006 · 108 citationsThe Journal of chemical physics. 2005;122(6):061101
Quantum deconstruction of the infrared spectrum of CH5+.16400143 · Huang, Xinchuan, McCoy, Anne B, Bowman, Joel M et al.2006 · 116 citationsScience (New York, N.Y.). 2006;311(5757):60-3
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