scholarly journals DEUTERATED WATER HEXAMER OBSERVED BY CHIRPED-PULSE ROTATIONAL SPECTROSCOPY

2014 ◽  
Author(s):  
Luca Evangelisti ◽  
George Shields ◽  
Berhane Temelso ◽  
Zbigniew Kisiel ◽  
Brooks Pate ◽  
...  
Keyword(s):  
Rotational Spectroscopy ◽  
Deuterated Water ◽  
Chirped Pulse

Uniform Supersonic Flow Sampling for Detection by Chirped-Pulse Rotational Spectroscopy

2021 ◽  
Author(s):  
Ranil M Gurusinghe ◽  
Nureshan Dias ◽  
Ritter Krueger ◽  
Arthur G. Suits
Keyword(s):  
Supersonic Flow ◽  
Rotational Spectroscopy ◽  
Chirped Pulse

scholarly journals Generation and structural characterization of Ge carbides GeCn (n = 4, 5, 6) by laser ablation, broadband rotational spectroscopy, and quantum chemistry

2019 ◽  
Vol 21 (35) ◽  
pp. 18911-18919
Author(s):  
Kin Long Kelvin Lee ◽  
Sven Thorwirth ◽  
Marie-Aline Martin-Drumel ◽  
Michael C. McCarthy
Keyword(s):  
Fourier Transform ◽  
Laser Ablation ◽  
Structural Characterization ◽  
Quantum Chemical ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
High Level

Rotational spectra of three Ge carbides, linear GeC4, GeC5, and GeC6 have been observed using chirped pulse and cavity Fourier transform microwave spectroscopy via laser ablation, guided by new high-level quantum chemical calculations.

scholarly journals Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor

2017 ◽  
Vol 8 (24) ◽  
pp. 6180-6188 ◽  
Author(s):  
Daniel P. Zaleski ◽  
Lawrence B. Harding ◽  
Stephen J. Klippenstein ◽  
Branko Ruscic ◽  
Kirill Prozument
Keyword(s):  
Room Temperature ◽  
Flow Reactor ◽  
Rotational Spectroscopy ◽  
Time Resolved ◽  
Chirped Pulse

Rotational spectroscopy of iodobenzene and iodobenzene–neon with a direct digital 2–8GHz chirped-pulse Fourier transform microwave spectrometer

2011 ◽  
Vol 269 (1) ◽  
pp. 21-29 ◽  
Author(s):  
Justin L. Neill ◽  
Steven T. Shipman ◽  
Leonardo Alvarez-Valtierra ◽  
Alberto Lesarri ◽  
Zbigniew Kisiel ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Rotational Spectroscopy ◽  
Chirped Pulse ◽  
Microwave Spectrometer

scholarly journals Testing the Scalability of the HS-AUTOFIT Tool in a High-Performance Computing Environment

Electronics ◽  
2021 ◽  
Vol 10 (18) ◽  
pp. 2251
Author(s):  
Giuseppe Di Modica ◽  
Luca Evangelisti ◽  
Luca Foschini ◽  
Assimo Maris ◽  
Sonia Melandri
Keyword(s):  
High Performance Computing ◽  
High Performance ◽  
Computing Time ◽  
Rotational Spectroscopy ◽  
Computing Environment ◽  
Computing Power ◽  
Chirped Pulse ◽  
Software Application ◽  
Performance Computing ◽  
Short Times

In the last years, the development of broadband chirped-pulse Fourier transform microwave spectrometers has revolutionized the field of rotational spectroscopy. Currently, it is possible to experimentally obtain a large quantity of spectra that would be difficult to analyze manually due to two main reasons. First, recent instruments allow obtaining a considerable amount of data in very short times, and second, it is possible to analyze complex mixtures of molecules that all contribute to the density of the spectra. AUTOFIT is a spectral assignment software application that was developed in 2013 to support and facilitate the analysis. Notwithstanding the benefits AUTOFIT brings in terms of automation of the analysis of the accumulated data, it still does not guarantee a good performance in terms of execution time because it leverages the computing power of a single computing machine. To cater to this requirement, we developed a parallel version of AUTOFIT, called HS-AUTOFIT, capable of running on high-performance computing (HPC) clusters to shorten the time to explore and analyze spectral big data. In this paper, we report some tests conducted on a real HPC cluster aimed at providing a quantitative assessment of HS-AUTOFIT’s scaling capabilities in a multi-node computing context. The collected results demonstrate the benefits of the proposed approach in terms of a significant reduction in computing time.

scholarly journals Electron-withdrawing effects on the molecular structure of 2- and 3-nitrobenzonitrile revealed by broadband rotational spectroscopy and their comparison with 4-nitrobenzonitrile

2018 ◽  
Vol 20 (34) ◽  
pp. 22210-22217 ◽  
Author(s):  
Jack B. Graneek ◽  
William C. Bailey ◽  
Melanie Schnell
Keyword(s):  
Molecular Structure ◽  
Fourier Transform ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Frequency Range ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
Fourier Transform Microwave Spectroscopy

The rotational spectra of 2- and 3-nitrobenzonitrile were recorded via chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2–8 GHz.

scholarly journals INVESTIGATION OF PURE ROTATIONAL SPECTROSCOPY OF ETHYNYLBENZONITRILE ISOMERS USING CHIRPED-PULSE W-BAND SPECTROSCOPY

2021 ◽  
Author(s):  
Jean-Thibaut Spaniol ◽  
Marie-Aline Martin-Drumel ◽  
Olivier Pirali ◽  
Kelvin Lee
Keyword(s):  
Rotational Spectroscopy ◽  
Chirped Pulse ◽  
W Band
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