Results 1 to 10 of about 3,606,632 (351)

The ground-state spectroscopic constants of Be-2 revisited [PDF]

Chemical Physics Letters, 1999
Extensive ab initio calibration calculations combined with infinite-basis limit extrapolations lead to a ground-state dissociation energy of Be-2, D-e = 944 +/- 25 cm(-1), substantially higher than the accepted experimental value.
MARTIN, Jan
core   +4 more sources

Spectroscopic Constants and Line Positions for TiO Singlet States

Astrophysical Journal Supplement Series, 2018
consistent set of spectroscopic constants for the a1Δ,d1Σ+,b1Π,c1Φ, and f1Δ states of 48Ti16O has been determined from analysis of the b1Π–a1Δ,b1Π–d1Σ+,c1Φ–a1Δ, and f1Δ–a1Δ systems. Three Fourier transform emission spectra have been used for the analysis.
Dror M. Bittner, Bernath, Peter F., Peter F. Bernath, Bittner, Dror M.   +3 more
core   +2 more sources

The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations [PDF]

, 2012
The A 1B1
Lee, Timothy J., Crawford, T. Daniel, Fortenberry, Ryan C., Ryan C. Fortenberry, Fortenberry, Ryan Clifton, Timothy J. Lee, T. Daniel Crawford, Lee, T. J.   +7 more
core   +2 more sources

Protonated Nitrous Oxide, NNOH(+): Fundamental Vibrational Frequencies and Spectroscopic Constants from Quartic Force Fields

Journal of Chemical Physics, 2013
The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O ...
Lee, Timothy J., Fortenberry, Ryan C., Huang, Xinchuan   +2 more
core   +2 more sources

Optical constants of CH3NH3PbBr3 perovskite thin films measured by spectroscopic ellipsometry

Optics Express, 2016
The lack of optical constants information for hybrid perovskite of CH3NH3PbBr3 in thin films form can delay the progress of efficient LED or laser demonstration.
Ng, Tien Khee, Saidaminov, Makhsud I., Diallo, Elhadj Marwane, Ooi, Boon S., Mishra, Pawan, Bakr, Osman, Dursun, Ibrahim, Alias, Mohd Sharizal   +7 more
core   +2 more sources

Molecular spectroscopic constants of O2(B3Σu-): The upper state of the Schumann-Runge bands

, 1986
Spectroscopic constants of the B 3Σ u - state of O 2 for 0 ≤ v′ ≤ 17 have been determined from the experimental data of K. Yoshino, D. E. Freeman, and W. H. Parkinson [J. Phys. Chem. Ref.
Freeman, DE, Cheung, ASC, Yoshino, K, Parkinson, WH   +3 more
core   +2 more sources

Optical constants of DC magnetron sputtered titanium dioxide thin films measured by spectroscopic ellipsometry

Crystal Research and Technology, 2003
Optical constants of DC magnetron sputtered $TiO_2$ thin film have been determined by Spectroscopic Ellipsometry in the photon energy range 1.2 to 5.5 eV at room temperature. The measured dielectric-function spectra reveal distinct structures at energies
Ramasamy Thangavelu Rajendra Kumar, C Viswanathan, D Mangalaraj   +2 more
exaly   +1 more source

Optical Constants of Several Multilayer Transition Metal Dichalcogenides Measured by Spectroscopic Ellipsometry in the 300–1700 nm Range: High Index, Anisotropy, and Hyperbolicity [PDF]

ACS Photonics, 2022
Transition metal dichalcogenides (TMDs) attract significant attention due to their remarkable optical and excitonic properties. It was understood already in the 1960s and recently rediscovered that many TMDs possess a high refractive index and optical ...
B. Munkhbat, Piotr Wr'obel, T. Antosiewicz, T. Shegai   +3 more
semanticscholar   +1 more source

Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T).

Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, 2020
Previous studies have shown that the weakly bonded H2S dimer demands high level quantum chemical calculations to reproduce experimental values. We investigated the hydrogen bonding of H2S dimer using MP2 and CCSD(T) levels of theory in combination with ...
J. Martins, Rabeshe P Quintino, José R. S. Politi, Daniel Sethio, R. Gargano, E. Kraka   +5 more
semanticscholar   +1 more source

SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES FOR l-C3H+ AND ISOTOPOLOGUES FROM HIGHLY ACCURATE QUARTIC FORCE FIELDS: THE DETECTION OF l-C3H+ IN THE HORSEHEAD NEBULA PDR QUESTIONED [PDF]

, 2013
Very recently, molecular rotational transitions observed in the photon-dominated region of the Horsehead nebula have been attributed to l-C3H+. In an effort to corroborate this finding, we employed state-of-the-art and proven high-accuracy quantum ...
Xinchuan Huang, R. Fortenberry, Timothy J. Lee   +2 more
semanticscholar   +1 more source