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Journal of Computational Chemistry, ISSN 0192-8651, 07/2018, Volume 39, Issue 19, pp. 1327 - 1334
The accurate ground‐state potential energy surface of germanium dicarbide, GeC2, has been determined from ab initio calculations using the coupled‐cluster... 
germanium dicarbide | vibration–rotation energy levels | structure | potential energy surface | BORON | CORRELATED MOLECULAR CALCULATIONS | CORRELATION CUSP | MODEL | CCSD(R12) | CHEMISTRY, MULTIDISCIPLINARY | CORE-VALENCE CORRELATION | TRIPLES | INCLUSION | vibration-rotation energy levels | GAUSSIAN-BASIS SETS | COUPLED-CLUSTER THEORY | Force and energy
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2017, Volume 38, Issue 12, pp. 892 - 900
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 01/2017, Volume 38, Issue 1, pp. 37 - 43
The accurate potential energy surface of beryllium monohydroxide, BeOH, in its ground electronic state X 2A′ has been determined from ab initio calculations... 
vibration‐rotation energy levels | beryllium monohydroxide | structure | potential energy surface | vibration-rotation energy levels | BEOH | COUPLED-CLUSTER METHODS | CORRELATION CUSP | MODEL | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | WAVE-FUNCTIONS | INCLUSION | ATOMS | BASIS-SETS | TRIPLE EXCITATIONS | Analysis | Beryllium | Force and energy
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 10/2016, Volume 37, Issue 26, pp. 2395 - 2402
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2018, Volume 149, Issue 17, p. 174309
We report two new experimental schemes to obtain rotationally resolved high-resolution spectra of predissociated S-1 acetylene levels in the 47 000-47 300... 
VACUUM-ULTRAVIOLET | (A)OVER-TILDE A(U) STATE | EXCITATION SPECTROSCOPY | DOUBLE-RESONANCE | PARTIAL DEPERTURBATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LASER-INDUCED FLUORESCENCE | (C)OVER-TILDE-1AG STATE | CHEMISTRY, PHYSICAL | GERADE RYDBERG STATES | X BAND SYSTEM | VIBRATION-ROTATION CONSTANTS
Journal Article
Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, 04/2006, Volume 39, Issue 8, pp. 2095 - 2105
We present a nonrelativistic calculation of the rotation-vibration levels of the molecular ions H-2(+), D-2(+) and HD+, relying on the diagonalization of the... 
STATES | OPTICS | VIBRATION-ROTATION LEVELS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 01/2014, Volume 89, Issue 1
A method for calculating the oscillator strengths for rovibrational transitions of a diatomic system within an approach that is not based on the... 
VIBRATION-ROTATION SPECTROSCOPY | DISSOCIATION LIMIT | STATES | D-2(+) | MOLECULAR-IONS | H-2(+) | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OPTICS | ENERGIES
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 08/2019, Volume 40, Issue 21, pp. 1911 - 1918
Accurate structure and potential energy surface of germylene, GeH2, in its ground electronic state X˜ 1A1 were determined from ab initio calculations using the... 
germylene | vibration‐rotation energy levels | structure | potential energy surface | CORRELATED MOLECULAR CALCULATIONS | COUPLED-CLUSTER METHODS | ENERGY-LEVELS | STATE | CHEMISTRY, MULTIDISCIPLINARY | ATOMS GALLIUM | TRANSITION | INFRARED-SPECTRA | NEON | SPECTROSCOPY | vibration-rotation energy levels | GAUSSIAN-BASIS SETS | Force and energy
Journal Article
Journal of Molecular Spectroscopy, ISSN 0022-2852, 12/2017, Volume 342, pp. 83 - 91
The potential energy surface of disilicon carbide was predicted ab initio. The vibration-rotation energy levels of CSi2 and its isotopologues were then... 
Potential energy surface | Vibration-rotation energy levels | Disilicone carbide | SI2C | CORRELATED MOLECULAR CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | TRIATOMIC MOLECULE | MODEL | CCSD(R12) | SPECTROSCOPY | INCLUSION | SPECTRUM | CLUSTER | GAUSSIAN-BASIS SETS
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2009, Volume 131, Issue 15, pp. 154306 - 154306-10
Journal Article
Journal of Molecular Spectroscopy, ISSN 0022-2852, 04/2012, Volume 274, Issue 1, pp. 28 - 34
Journal Article
Chemical Physics, ISSN 0301-0104, 05/2008, Volume 346, Issue 1-3, pp. 69 - 76
The traditional formulation of a molecular wave function describing the motion of the electrons and the nuclei, in terms of the Born hierarchy, does not allow... 
Non-adiabatic effects | Coordinate dependent effective masses | Vibration-rotation spectra
Journal Article
Molecular Physics, ISSN 0026-8976, 10/2015, Volume 113, Issue 19-20, pp. 2992 - 2998
Journal Article
Journal of Molecular Spectroscopy, ISSN 0022-2852, 2011, Volume 267, Issue 1, pp. 150 - 157
Series of the J-reduced energies in the vicinity of the Coriolis resonance between the ν 5 = 1 -1 and ν 6 = 2 0 levels of CDF 3. [Display omitted] ► Several... 
Anharmonic and vibration–rotation interactions | High-resolution IR spectroscopy | Deuterated fluoroform | Anharmonic and vibration-rotation interactions
Journal Article
PHYSICAL REVIEW LETTERS, ISSN 0031-9007, 02/2016, Volume 116, Issue 9
Although the existence of quasibound rotational levels of the X+ (2)Sigma(+)(g) ground state of H-2(+) was predicted a long time ago, these states have never... 
DIATOMIC-MOLECULES | BORN-OPPENHEIMER APPROXIMATION | PHYSICS, MULTIDISCIPLINARY | VIBRATION-ROTATION LEVELS | RELATIVISTIC CORRECTIONS | HYDROGEN MOLECULAR ION | FIELD-IONIZATION | HYPERFINE-STRUCTURE | NONADIABATIC THEORY | HIGH RYDBERG STATES | PHOTOELECTRON-SPECTROSCOPY
Journal Article
Journal of Molecular Spectroscopy, ISSN 0022-2852, 01/2010, Volume 259, Issue 1, pp. 1 - 10
The high-resolution infrared spectrum of deuterated fluoroform (DCF ) was studied in the 700 and 1200 cm regions, with the aim of assigning and analyzing the ν... 
High-resolution IR spectroscopy | Deuterated fluoroform | Anharmonic and vibration-rotation resonances
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 02/2006, Volume 124, Issue 7, pp. 074309 - 074309-12
Rotationally resolved microwave (MW) and ultraviolet (UV) spectra of jet-cooled tropolone have been obtained in S 0 and S 1 electronic states using... 
POLYATOMIC-MOLECULES | SPECTROSCOPY | METHYL-GROUP | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | INTERNAL-ROTATION | SPECTRUM | TRANSITIONS | VIBRATION-ROTATION INTERACTION | PROTON-TRANSFER | JET-COOLED TROPOLONE | MALONALDEHYDE
Journal Article
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, ISSN 1364-503X, 03/2018, Volume 376, Issue 2115, p. 20170149
Transition intensities for small molecules such as water and CO2 can now be computed with such high accuracy that they are being used to systematically replace... 
Potential energy surfaces | Vibration-rotation | Transition intensities | SPECTROSCOPIC DATA | GROUND-STATE | MULTIDISCIPLINARY SCIENCES | ISOTOPOLOGUES | PARAMETERS | intensities | vibration-rotation | transition | (H2O)-O-16 | potential energy surfaces | POSITIONS | TEMPERATURE LINE LISTS | TRIATOMIC-MOLECULES | TRANSITIONS | transition intensities | 1002 | 196 | vibration–rotation
Journal Article
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