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Entries: 1-10  
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A Variationally Computed T = 300 K Line List for NH₃
Authors: Yurchenko, S. N.; Barber, R. J.; Yachmenev, A.; Thiel, W.; Jensen, P.; Tennyson, J.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of Physical Chemistry A
Volume: 113
Start Page: 11845
End Page: 11855
Document Type: Article
ID: 460119.0
New potential energy surfaces for the X and à states of CH₂⁺
Authors: Bunker, P. R.; Kraemer, W. P.; Yurchenko, S. N.; Thiel, W.; Neese, C. F.; Gottfried, J. L.; Jensen, P.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Molecular Physics
Volume: 105
Issue / Number: 10
Start Page: 1369
End Page: 1376
Document Type: Article
ID: 321146.0
 
Full text / Content available
Dipole moment and rovibrational intensities in the electronic ground state of NH₃: Bridging the gap between ab initio theory and spectroscopic experiment
Authors: Yurchenko, S. N.; Carvajal, M.; Lin, H.; Zheng, J.; Thiel, W.; Jensen, P.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of Chemical Physics
Volume: 122
Issue / Number: 10
Sequence Number of Article: 104317
Document Type: Article
ID: 265359.0
Potential-energy surface for the electronic ground state of NH₃ up to 20,000 cm⁻¹ above equilibrium
Authors: Yurchenko, S. N.; Zheng, J. G.; Lin, H.; Jensen, P.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of Chemical Physics
Volume: 123
Issue / Number: 13
Sequence Number of Article: 134308
Document Type: Article
ID: 265789.0
Rotation-vibration motion of pyramidal XY₃ molecules described in the Eckart frame: The calculation of intensities with application to NH₃
Authors: Yurchenko, S. N.; Thiel, W.; Carvajal, M.; Lin, H.; Jensen, P.
Title of Book: ADVANCES IN QUANTUM CHEMISTRY
Start Page: 209
End Page: 238
Place of Publication: SAN DIEGO
Publisher: ELSEVIER ACADEMIC PRESS INC
Date of Publication (YYYY-MM-DD): 2005
Document Type: InBook
ID: 265859.0
Rotation-vibration motion of pyramidal XY₃ molecules described in the Eckart frame: Theory and application to NH₃
Authors: Yurchenko, S. N.; Carvajal, M.; Jensen, P.; Lin, H.; Zheng, J. J.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Molecular Physics
Volume: 103
Issue / Number: 2-3
Start Page: 359
End Page: 378
Document Type: Article
ID: 265861.0
Vibrational spectrum of BiH₃: Six-dimensional variational calculations on high-level ab initio potential energy surfaces
Authors: Yurchenko, S. N.; Breidung, J.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Theoretical Chemistry Accounts
Volume: 114
Issue / Number: 4-5
Start Page: 333
End Page: 340
Document Type: Article
ID: 265951.0
Theoretical evidence for the formation of rotational energy level clusters in the vibrational ground state of PH₃
Authors: Yurchenko, S. N.; Thiel, W.; Patchkovskii, S.; Jensen, P.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Physical Chemistry Chemical Physics
Volume: 7
Start Page: 573
End Page: 582
Document Type: Article
ID: 267018.0
The spectrum of singlet SiH2
Authors: Yurchenko, S. N.; Bunker, P.R.; Kraemer, W. P.; Jensen, P.
Date of Publication (YYYY-MM-DD): 2004-06
Title of Journal: Canadian Journal of Chemistry - Revue Canadienne de Chimie
Volume: 82
Issue / Number: 6
Start Page: 694
End Page: 708
Document Type: Article
ID: 204703.0
 
Full text / Content available
Vibrational energies for NH3 based on high level ab initio potential energy surfaces
Authors: Lin, H.; Thiel, W.; Yurchenko, S. N.; Carvajal, M.; Jensen, P.
Date of Publication (YYYY-MM-DD): 2002-12-22
Title of Journal: Journal of Chemical Physics
Volume: 117
Issue / Number: 24
Start Page: 11265
End Page: 11276
Document Type: Article
ID: 20421.0
Entries: 1-10  
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