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Yurchenko, Sergei N., Thiel, Walter, Carvajal, Miguel, Jensen, Per (2008) Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of. Chemical Physics, 346. 146-159 doi:10.1016/j.chemphys.2008.01.052

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Reference TypeJournal (article/letter/editorial)
TitleAb initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of
JournalChemical Physics
AuthorsYurchenko, Sergei N.Author
Thiel, WalterAuthor
Carvajal, MiguelAuthor
Jensen, PerAuthor
Year2008 (May)Volume346
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.01.052Search in ResearchGate
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Mindat Ref. ID5961514Long-form Identifiermindat:1:5:5961514:1
GUID0
Full ReferenceYurchenko, Sergei N., Thiel, Walter, Carvajal, Miguel, Jensen, Per (2008) Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of. Chemical Physics, 346. 146-159 doi:10.1016/j.chemphys.2008.01.052
Plain TextYurchenko, Sergei N., Thiel, Walter, Carvajal, Miguel, Jensen, Per (2008) Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of. Chemical Physics, 346. 146-159 doi:10.1016/j.chemphys.2008.01.052
In(n.d.) Chemical Physics Vol. 346. Elsevier BV

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Yurchenko, Sergei N., Carvajal, Miguel, Lin, Hai, Zheng, Jingjing, Thiel, Walter, Jensen, Per (2005) Dipole moment and rovibrational intensities in the electronic ground state of NH3: Bridging the gap betweenab initiotheory and spectroscopic experiment. The Journal of Chemical Physics, 122 (10). 104317pp. doi:10.1063/1.1862620
Lin, Hai, Thiel, Walter, Yurchenko, Sergei N., Carvajal, Miguel, Jensen, Per (2002) Vibrational energies for NH3 based on high level ab initio potential energy surfaces. The Journal of Chemical Physics, 117 (24). 11265-11276 doi:10.1063/1.1521762
Yachmenev, Andrey, Yurchenko, Sergei N., Jensen, Per, Thiel, Walter (2011) A new ā€œspectroscopicā€ potential energy surface for formaldehyde in its ground electronic state. The Journal of Chemical Physics, 134 (24). 244307pp. doi:10.1063/1.3599927
Yurchenko, Sergei N., Zheng, Jingjing, Lin, Hai, Jensen, Per, Thiel, Walter (2005) Potential-energy surface for the electronic ground state of NH3 up to 20000cmāˆ’1 above equilibrium. The Journal of Chemical Physics, 123 (13). 134308pp. doi:10.1063/1.2047572
Ovsyannikov, Roman I., Thiel, Walter, Yurchenko, Sergei N., Carvajal, Miguel, Jensen, Per (2008) Vibrational energies of PH3 calculated variationally at the complete basis set limit. The Journal of Chemical Physics, 129 (4). 44309pp. doi:10.1063/1.2956488
Yurchenko, Sergei N., Thiel, Walter, Patchkovskii, Serguei, Jensen, Per (2005) Theoretical evidence for the formation of rotational energy level clusters in the vibrational ground state of PH3. Physical Chemistry Chemical Physics, 7 (4). 573pp. doi:10.1039/b418073a
Owens, Alec, Yurchenko, Sergei N., Yachmenev, Andrey, Thiel, Walter (2015) A global potential energy surface and dipole moment surface for silane. The Journal of Chemical Physics, 143 (24). 244317pp. doi:10.1063/1.4938563
Owens, Alec, Yurchenko, Sergei N., Yachmenev, Andrey, Tennyson, Jonathan, Thiel, Walter (2016) A highly accurate ab initio potential energy surface for methane. The Journal of Chemical Physics, 145 (10). 104305pp. doi:10.1063/1.4962261
Yurchenko āˆ„, Sergei N., Carvajal, Miguel, Jensen *, Per, Lin āŠ„, Hai, Zheng, Jingjing, Thiel *, Walter (2005) Rotationā€“vibration motion of pyramidal XY3molecules described in the Eckart frame: Theory and application to NH3. Molecular Physics, 103. 359-378 doi:10.1080/002689705412331517255
Yachmenev, Andrey, Yurchenko, Sergei N., Jensen, Per, Baum, Oliver, Giesen, Thomas F., Thiel, Walter (2010) Theoretical rotationā€“torsion spectra of HSOH. Physical Chemistry Chemical Physics, 12 (29). 8387pp. doi:10.1039/c002803g
Lourderaj, U., Sathyamurthy, N. (2005) Ab initio potential energy surface for HeF2 in its ground electronic state. Chemical Physics, 308. 277-284 doi:10.1016/j.chemphys.2004.05.031
 
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