Publikationen von S. N. Yurchenko
Alle Typen
Zeitschriftenartikel (28)
2011
Zeitschriftenartikel
134, 244307 (2011)
A new "spectroscopic" potential energy surface for formaldehyde in its ground electronic state. Journal of Chemical Physics
Zeitschriftenartikel
135, 074302 (2011)
High-level ab initio potential energy surfaces and vibrational energies of H(2)CS. Journal of Chemical Physics
Zeitschriftenartikel
268, S. 123 - 129 (2011)
Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study. Journal of Molecular Spectroscopy 2010
Zeitschriftenartikel
12, S. 8387 - 8397 (2010)
Theoretical rotation-torsion spectra of HSOH. Physical Chemistry Chemical Physics
Zeitschriftenartikel
132, 114305, S. 114305-1 - 114305-15 (2010)
Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: The importance of the large amplitude inversion mode. Journal of Chemical Physics
Zeitschriftenartikel
111, S. 2279 - 2290 (2010)
A theoretical-spectroscopy, ab initio-based study of the electronic ground state of ¹²¹SbH₃. Journal of Quantitative Spectroscopy & Radiative Transfer 2009
Zeitschriftenartikel
113, S. 11845 - 11855 (2009)
A Variationally Computed T = 300 K Line List for NH₃. Journal of Physical Chemistry A
Zeitschriftenartikel
256, S. 119 - 127 (2009)
Rotation-vibration energy cluster formation in XH₂D and XHD₂ molecules (X = Bi, P, and Sb). Journal of Molecular Spectroscopy
Zeitschriftenartikel
257, S. 57 - 65 (2009)
An Ab Initio Calculation of the Vibrational Energies and Transition Moments of HSOH. Journal of Molecular Spectroscopy 2008
Zeitschriftenartikel
129, 154314 (2008)
Theoretical rotation-torsion energies of HSOH. Journal of Chemical Physics
Zeitschriftenartikel
252, S. 121 - 128 (2008)
PH₃ revisited: Theoretical transition moments for the vibrational transitions below 7000 cm⁻¹. Journal of Molecular Spectroscopy
Zeitschriftenartikel
129, 044309 (2008)
Vibrational energies of PH₃ calculated variationally at the complete basis set limit. Journal of Chemical Physics
Zeitschriftenartikel
346, S. 146 - 159 (2008)
Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of ¹⁴NH₃⁺. Chemical Physics
Zeitschriftenartikel
128, 044312 (2008)
Potential energy surface of HDO up to 25 000 cm⁻¹. Journal of Chemical Physics 2007
Zeitschriftenartikel
126, 234102 (2007)
An ab initio study of the CH₃I photodissociation. I. Potential energy surfaces. Journal of Chemical Physics
Zeitschriftenartikel
105, S. 1369 - 1376 (2007)
New potential energy surfaces for the (X)over-tilde and (A)over-tilde states of CH₂⁺. Molecular Physics
Zeitschriftenartikel
245, S. 126 - 140 (2007)
Theoretical ROVibrational Energies (TROVE): A robust numerical approach to the calculation of rovibrational energies for polyatomic molecules. Journal of Molecular Spectroscopy 2006
Zeitschriftenartikel
795, S. 9 - 13 (2006)
The rovibronic energies of the SiNSi radical in its (X)over-tilde²Πg electronic state. Journal of Molecular Structure
Zeitschriftenartikel
124, 094306 (2006)
A dispersed fluorescence and ab initio investigation of the (X)over-tilde²B₁ and òA₁ electronic states of the PH2 molecule. Journal of Chemical Physics
Zeitschriftenartikel
239, S. 71 - 87 (2006)
Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH₃. Journal of Molecular Spectroscopy