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FT-IR and FT-RAMAN investigations of nicotinaldehyde
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2006The Fourier transform Raman and infrared spectra of nicotinaldehyde were recorded and the observed frequencies were assigned to various modes of vibration in terms of fundamentals by assuming Cs point group symmetry. A normal coordinate analysis was also carried out using a simple valence force field.
Sujin P, Jose, S, Mohan
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DFT, FT-Raman, FT-IR and FT-NMR studies of 4-phenylimidazole
Journal of Molecular Structure, 2011Abstract The experimental and theoretical vibrational spectra of 4-phenylimidazole (4-PI) were studied. The FT-IR, FT-Raman and FT-NMR spectra of 4-PI molecule was recorded in the powder form. The tautomeric, structural and spectroscopic analysis of the title molecule was made by using density functional harmonic calculations. For the title molecule,
ERDOĞDU, YUSUF +4 more
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FT-IR, FT-Raman and FT-SERS spectra of 4-aminosalicylic acid sodium salt dihydrate
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2002FT-IR, FT-Raman and FT-SERS spectra of 4-aminosalicylic acid sodium salt dihydrate (4ASAS) have been recorded and analysed. The vibrational bands due to NH2, OH, carboxyl group, and the benzene ring are identified. The CX ipb(17a, 17b), CC ipb(6,18a) and CH ipb (3,14a, 14b) bands are more enhanced in SERS.
C Yohannan, Panicker +5 more
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Proceedings of the 2013 International Workshop on Programming Models and Applications for Multicores and Manycores, 2013
The emergence of multicore machines has made exploiting parallelism a necessity to harness the abundant computing resources in both a single machine and clusters. This, however, may hinder programming productivities as threaded and distributed programming is hard to use correctly and concurrency/distributed bugs are hard to spot.
Chenning Xie, Zhijun Hao, Haibo Chen
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The emergence of multicore machines has made exploiting parallelism a necessity to harness the abundant computing resources in both a single machine and clusters. This, however, may hinder programming productivities as threaded and distributed programming is hard to use correctly and concurrency/distributed bugs are hard to spot.
Chenning Xie, Zhijun Hao, Haibo Chen
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Proceedings of the 23rd international symposium on High-performance parallel and distributed computing, 2014
It is well known that soft errors in linear algebra operations can be detected off-line at the end of the computation using algorithm-based fault tolerance (ABFT). However, traditional ABFT usually cannot correct errors in Cholesky, QR, and LU factorizations because any error in one matrix element will be propagated to many other matrix elements and ...
Panruo Wu, Zizhong Chen
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It is well known that soft errors in linear algebra operations can be detected off-line at the end of the computation using algorithm-based fault tolerance (ABFT). However, traditional ABFT usually cannot correct errors in Cholesky, QR, and LU factorizations because any error in one matrix element will be propagated to many other matrix elements and ...
Panruo Wu, Zizhong Chen
openaire +1 more source