Results 61 to 70 of about 87,527 (252)

Estudio espectroscópico experimental y computacional de Ibuprofeno y sus precursores de síntesis

La Granja: Revista de Ciencias de la Vida, 2015
Se presenta un estudio comparativo de los espectros infrarrojo (IR) y ultravioleta/visible (UV/VIS) de ibuprofeno, isobutilbenceno y 4-isobutilacetofenona obtenidos experimentalmente, con los calculados computacionalmente.
Sebastián Cuesta, Lorena Meneses
doaj   +1 more source

Brexit and Its Impact on EU Financial Markets

International Journal of Finance &Economics, EarlyView.
ABSTRACT We investigate the impact of Brexit on volatility spillovers across the EU countries. We introduce a Brexit intensity measure that assigns an intensity score reflective of the financial markets' reaction to the events that occurred as Brexit negotiations began to unfold.
Marwan Izzeldin, Gulnur Muradoglu, Vasileios Pappas, Sheeja Sivaprasad   +3 more
wiley   +1 more source

Theoretical and computational investigations on estimation of viscosity of ionic liquids for green adsorbent: Effect of temperature and composition

Case Studies in Thermal Engineering
Ionic liquids can be recognized as green adsorbent for water purification due to their superior characteristics compared to conventional organic solvents.
Zhaoxiong Han
doaj   +1 more source

Comparison study of CC and CH vibration frequencies and eelectronic properties for mono, Di, Tri, and tetra-rings layer of arm chair (SWCNTs)

Iraqi Journal of Physics, 2019
Semi-empirical methods were applied for calculating the vibration frequencies and IR absorption intensities for normal coordinates of the {mono (C56H28), di (C84H28), tri (C112H28) and tetra (C140H28)} -rings layer for (7,7) armchair single wall carbon ...
Huda N. Al-Ani
doaj   +1 more source

Exchange Rates and Sovereign Risk: A Nonlinear Approach Based on Local Gaussian Correlations

International Journal of Finance &Economics, EarlyView.
ABSTRACT We empirically assess the interlinkages between sovereign risk, measured in terms of CDS spreads, and exchange rates for a sample of emerging markets. Our period of analysis includes episodes of severe stress, such as the Global Financial Crisis, the COVID‐19 pandemic, and the Ukrainian War.
Reinhold Heinlein, Gabriella D. Legrenzi, Scott M. R. Mahadeo   +2 more
wiley   +1 more source

Deglaciation of the Burren glacio‐karst, western Ireland, during Termination 1: Implications for North Atlantic climate and karstification

Journal of Quaternary Science, EarlyView.
Abstract The Burren uplands in western Ireland form one of the most extensive and best‐preserved examples of glacio‐karst in Europe. Subsumed by the Irish ice sheet during the Late Pleistocene, granite erratic boulders and in situ silica veins in the limestone bedrock provide a rare opportunity to reconstruct the timing and rate of deglaciation ...
Gordon Bromley, Colin Bunce, Brenda Hall, Aaron Putnam, Frank McDermott   +4 more
wiley   +1 more source

Spectroscopic Investigations and DFT Calculations on 3-(Diacetylamino)-2-ethyl-3H-quinazolin-4-one

Journal of Spectroscopy, 2016
The theoretical and experimental vibrational frequencies of 3-(diacetylamino)-2-ethyl-3H-quinazolin-4-one (2) were investigated. The experimental Laser-Raman spectrum (4000–100 cm−1) and FT-IR spectrum (4000–400 cm−1) of the newly synthesized compound ...
Yusuf Sert, Fatih Ucun, Gamal A. El-Hiti, Keith Smith, Amany S. Hegazy   +4 more
doaj   +1 more source

DFT study of the effect of substituents on the absorption and emission spectra of Indigo

Chemistry Central Journal, 2012
Background Theoretical analyses of the indigo dye molecule and its derivatives with Chlorine (Cl), Sulfur (S), Selenium (Se) and Bromine (Br) substituents, as well as an analysis of the Hemi-Indigo molecule, were performed using the Gaussian 03 software ...
Cervantes-Navarro Francisco, Glossman-Mitnik Daniel   +1 more
doaj   +1 more source

Deterministic Fiber‐Optic Spectral Engineering Enables Three‐Color Multiplexed Two‐Photon Microscopy

Laser &Photonics Reviews, EarlyView.
A simulation‐guided spectral‐engineering framework maps the nonlinear parameter space of a fiber laser platform to identify balanced three‐band excitation states. The resulting 960, 1080, and 1175 nm femtosecond pulses deliver nJ‐level energies for low‐cross‐talk chromatically multiplexed two‐photon microscopy.
Marvin Edelmann, Andreu Matamoros‐Angles, Mohsin Shafiq, Mikhail Pergament, Franz X. Kärtner, Markus Glatzel   +5 more
wiley   +1 more source

Non-empirical calculations for minimal energetic reaction pathways of hf molecule addition to acetylene and methylacetylene

Тонкие химические технологии, 2009
Potential energy surfaces of gas-phased synchronous addition of HF to acetylene and methylacetylene. A non-empirical Harthree-Fock-Ruthane method (Gaussian-03, G-31++G** basis) with electronic correlation consideration in MP2 approximation (Moeller ...
Yu. B. Kirillov, N. M. Klimenko
doaj