Results 151 to 160 of about 30,690 (171)

Spectroscopic parameter and molecular constant investigations on X2Σ+ and A2Πi states of 12C14N, 12C15N, 13C14N and 13C15N species

Journal of Molecular Structure: THEOCHEM, 2010
Abstract The potential energy curves of X 2 Σ + and A 2 Π i states of CN radical have been investigated using the complete active space self-consistent-field method followed by the highly accurate valence internally contracted multireference configuration interaction approach in combination with the cc-pV5Z basis set.
Deheng Shi, Hui Liu, Xiaoniu Zhang, Jinfeng Sun, Zunlue Zhu, Yufang Liu   +5 more
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Molecular constants of HT16O (H16OT) at the (010) state obtained from tunable diode laser and other spectroscopic methods

2016
This chapter provides the molecular constants for (010) state of triatomic HT16O (H16OT) molecule measured using tunable diode laser and other spectroscopic methods and theoretical calculation.
G. Guelachvili, N. Picqué
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Determination of Thermodynamics Constant of Interaction among of Atenolol and Metoprolol with Human Serum Albumin: Spectroscopic and Molecular Modeling Approaches

, 2021
Arastou Raoufi, Mahmoud Ebrahimi, Mohammad Reza Bozorgmehr   +2 more
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Spectroscopic constants and molecular properties of , A2Πu, and D2Πg electronic states of the ion

Computational and Theoretical Chemistry, 2011
Deheng Shi, Wei Xing, Jinfeng Sun, Zunlue Zhu, Yufang Liu   +4 more
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The effect of approximating some molecular integrals in coupled-cluster calculations: fundamental frequencies and rovibrational spectroscopic constants for isotopologues of cyclopropenylidene

, 2009
Timothy J. Lee, Xinchuan Huang, Christopher E. Dateo   +2 more
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Arsenic monofluoride (AsF, 3Σ): Dissociation enthalpy, ionization potential, electron affinity, dipole moment, spectroscopic constants, and ideal gas thermodynamic functions from a Hartree-Fock molecular orbital investigation

, 1973
P.A.G. O’Hare, A. Batana, Arnold C. Wahl   +2 more
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Molecular constants at ground state of HD16O (H16OD) obtained from microwave spectroscopic methods

2016
G. Guelachvili, N. Picqué
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On the Effects of Spin–Orbit Coupling on Molecular Properties: Dipole Moment and Polarizability of PbO and Spectroscopic Constants for the Ground and Excited States

, 2004
Björn O. Roos, Per‐Åke Malmqvist
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Ab initio molecular orbital prediction of the Renner–Teller effect for the first excited state ∏2 of MgNC: Reinterpretation of the laser-induced fluorescence spectrum based on the predicted spectroscopic constants

, 2001
Tina Erica Odaka, Tetsuya Taketsugu, Tsuneo Hirano, Umpei Nagashima   +3 more
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Toward spectroscopic accuracy for open-shell systems: Molecular structure and hyperfine coupling constants of H2CN, H2CP, NH2, and PH2 as test cases

, 2010
Cristina Puzzarini, Vincenzo Barone
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