Results 21 to 30 of about 129,793 (295)

Spectroscopic Characterization of Diazophosphane—A Candidate for Astrophysical Observations

The Astrophysical Journal, 2023
Quite recently, diazophosphane, HP−N≡N, was synthesized for the first time. This was accomplished by a reaction of PH _3 with N _2 under UV irradiation at 193 nm.
Martin Tschöpe, Guntram Rauhut
doaj   +1 more source

Molecular ion trap-depletion spectroscopy of BaCl$^+$

, 2011
We demonstrate a simple technique for molecular ion spectroscopy. BaCl$^+$ molecular ions are trapped in a linear Paul trap in the presence of a room-temperature He buffer gas and photodissociated by driving an electronic transition from the ground X$^1 ...
Chen, Kuang, Hudson, Eric R., Kotochigova, Svetlana, Petrov, Alexander, Rellergert, Wade G., Schowalter, Steven J., Sullivan, Scott T.   +6 more
core   +1 more source

Rotational spectroscopy of the HCCO and DCCO radicals in the millimeter and submillimeter range [PDF]

, 2018
The ketenyl radical, HCCO, has recently been detected in the ISM for the first time. Further astronomical detections of HCCO will help us understand its gas-grain chemistry, and subsequently revise the oxygen-bearing chemistry towards dark clouds ...
Bizzocchi, L., Caselli, P., Chantzos, J., Endres, C., Laas, J., Lattanzi, V., Spezzano, S., Vasyunin, A.   +7 more
core   +1 more source

Synthesis and characterization of violurate-based Mn(II) and Cu(II) complexes nano-crystallites as DNA-binders and therapeutics agents against SARS-CoV-2 virus

Journal of Saudi Chemical Society, 2022
Synthesis and structural characterization of nano crystallites of bis-violurate-based manganese(II) and copper(II) chelates is the subject of the present study.
Sami A. Al-Harbi
doaj   +1 more source

Deformed Heisenberg Algebra with a minimal length: Application to some molecular potentials

, 2016
We review the essentials of the formalism of quantum mechanics based on a deformed Heisenbeg algebra, leading to the existence of a minimal length scale.
Bouaziz, Djamil
core   +1 more source

Computational and Spectroscopic Investigation of Diaminomethane Formation: The Simplest Geminal Diamine of Astrochemical Interest

Atoms
A high-level ab initio characterization and formation of diaminomethane (DAM), the simplest geminal diamine, is presented to support its spectroscopic detection and astrochemical relevance in the interstellar medium.
Pravi Mishra, Parmanand Pandey, Rachana Singh, Manisha Yadav, Shivani, Aftab Ahamad, Alka Misra, Amritanshu Shukla, Poonam Tandon   +8 more
doaj   +1 more source

High-Accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 1 ^1A' l-C3H-: A Possible Link to Lines Observed in the Horsehead Nebula PDR

, 2013
It has been shown that rotational lines observed in the Horsehead nebula PDR are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly
Crawford, T. Daniel, Fortenberry, Ryan C., Huang, Xinchuan, Lee, Timothy J.   +3 more
core   +1 more source

Spectroscopic Constants, Abundances, and Opacities of the TiH Molecule

, 2004
Using previous measurements and quantum chemical calculations to derive the molecular properties of the TiH molecule, we obtain new values for its ro-vibrational constants, thermochemical data, spectral line lists, line strengths, and absorption ...
A. Burrows, Bauschlicher C. W., C. M. Sharp, C. W. Bauschlicher, Jr., J. A. Milsom, M. Dulick, P. F. Bernath, R. S. Ram, Yerle R.   +8 more
core   +1 more source

Ab initio spectroscopic characterization of the radical CH$_3$OCH$_2$ at low temperatures [PDF]

, 2019
Spectroscopic and structural properties of methoxymethyl radical (CH$_3$OCH$_2$, RDME) are determined using explicitly correlated ab initio methods.
Al-Mogren, M. Mogren, Carvajal, M., Gámez, V., Senent, M. L., Yazidi, O.   +4 more
core   +2 more sources

Spectroscopic parameters and molecular constants of X1+ and a3 electronic states of BF radical

Acta Physica Sinica, 2012
The potential energy curves (PECs) of the X1+ and a3 electronic states of the BF radical are studied by employing the ab initio quantum chemical method. The calculations are performed by using the complete active space self-consistent field (CASSCF) method followed by the valence internally contracted multireference configuration interaction (MRCI ...
null Shi De-Heng, null Niu Xiang-Hong, null Sun Jin-Feng, null Zhu Zun-Lue   +3 more
openaire   +1 more source