High-Accuracy ab Initio Rotation-Vibration Transitions for Water
Polyansky, Oleg L., Császár, Attila G., Shirin, Sergei V., Zobov, Nikolai F., Barletta, Paolo, Tennyson, Jonathan, Schwenke, David W., Knowles, Peter J.
Published in Science (American Association for the Advancement of Science) (24.01.2003)
Published in Science (American Association for the Advancement of Science) (24.01.2003)
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Journal Article
ExoMol molecular line lists – XIV. The rotation–vibration spectrum of hot SO2
Underwood, Daniel S., Tennyson, Jonathan, Yurchenko, Sergei N., Huang, Xinchuan, Schwenke, David W., Lee, Timothy J., Clausen, Sønnik, Fateev, Alexander
Published in Monthly notices of the Royal Astronomical Society (11.07.2016)
Published in Monthly notices of the Royal Astronomical Society (11.07.2016)
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Journal Article
Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond
Gamache, Robert R., Roller, Christopher, Lopes, Eldon, Gordon, Iouli E., Rothman, Laurence S., Polyansky, Oleg L., Zobov, Nikolai F., Kyuberis, Aleksandra A., Tennyson, Jonathan, Yurchenko, Sergei N., Császár, Attila G., Furtenbacher, Tibor, Huang, Xinchuan, Schwenke, David W., Lee, Timothy J., Drouin, Brian J., Tashkun, Sergei A., Perevalov, Valery I., Kochanov, Roman V.
Published in Journal of quantitative spectroscopy & radiative transfer (01.12.2017)
Published in Journal of quantitative spectroscopy & radiative transfer (01.12.2017)
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Journal Article
On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl
Ruscic, Branko, Wagner, Albert F, Harding, Lawrence B, Asher, Robert L, Feller, David, Dixon, David A, Peterson, Kirk A, Song, Yang, Qian, Ximei, Ng, Cheuk-Yiu, Liu, Jianbo, Chen, Wenwu, Schwenke, David W
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.03.2002)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.03.2002)
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Journal Article
Towards accurate ab initio predictions of the vibrational spectrum of methane
Schwenke, David W.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.03.2002)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.03.2002)
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Journal Article
Vibrational energy levels for CH4 from an ab initio potential
Schwenke, D. W., Partridge, H.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.03.2001)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.03.2001)
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Journal Article
Ames-2021 CO2 Dipole Moment Surface and IR Line Lists: Toward 0.1% Uncertainty for CO2 IR Intensities
Huang, Xinchuan, Schwenke, David W., Freedman, Richard S., Lee, Timothy J.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.09.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.09.2022)
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Journal Article
Functional Representation for the Born−Oppenheimer Diagonal Correction and Born−Huang Adiabatic Potential Energy Surfaces for Isotopomers of H3
Mielke, Steven L, Schwenke, David W, Schatz, George C, Garrett, Bruce C, Peterson, Kirk A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.04.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.04.2009)
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Journal Article
What It Takes to Compute Highly Accurate Rovibrational Line Lists for Use in Astrochemistry
Huang, Xinchuan, Schwenke, David W, Lee, Timothy J
Published in Accounts of chemical research (16.03.2021)
Published in Accounts of chemical research (16.03.2021)
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Journal Article
Comprehensive Study of HCN: Potential Energy Surfaces, State-to-State Kinetics, and Master Equation Analysis
Priyadarshini, Maitreyee Sharma, Jo, Sung Min, Venturi, Simone, Schwenke, David W., Jaffe, Richard L., Panesi, Marco
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.11.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.11.2022)
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