Specifications table Subject area Spectroscopy and Computational Chemistry Compounds Ribavirin Data category Spectral, computational simulations and molecular docking. Data acquisition format FT-IR, FT-Raman Data type Experimental and theoretical Procedure The title compound was purchased in its pure form and...
Infrared spectroscopy is a technique based on the absorption or reflection of infrared radiation by chemical substances; each chemical substance having unique absorption spectra. Fourier Transform Infrared (FTIR) spectroscopy is used to identify biochemical compounds and examine the biochemical composition of...
View PDFView articleView in ScopusGoogle Scholar [32] N. Sundaraganesan, S. Illakiamani, C. Meganathan, B.D. Joshua Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride Spectrochim. Acta Mol. Biomol. Spectrosc., ...
Application Note: 50733 Curve Fitting in Raman and IR Spectroscopy: Basic Theory of Line Shapes and Applications Michael Bradley, Thermo Fisher Scientific, Madison, WI, USA Key Words • Collision-induced Scattering • OMNIC Peak Resolve Software • Peak Fitting • Protein Structures • ...
Electrochemical impedance spectroscopy (EIS) data were obtained in 0.05 M H2SO4 at the open circuit potential (OCP) to assess frequency dependence of charge transfer at the electrode surface. Table 2 shows EIS data obtained. TABLE 2 Pt—Ir Au Pt (80-20%) Ir 4 min 8 min 16 min 32 mi...
The calculated optimized geometrical parameters obtained in this study for the title compound are compared with the experimental [7,8] values are presented in Table1.V. BalachandranM. Murali
92.4% of the WML were correctly detected on IR-UTE (n=254;Table 2). 1.8% of the WML were rated false positive (n=5) and 5.8% were false negative (n=16). 19 out of the 21 false positive/negative rated ...
Fibre lasers operating at the mid-IR have attracted enormous interest due to the plethora of applications in defence, security, medicine, and so on. However, no continuous-wave (CW) fibre lasers beyond 4 μm based on rare-earth-doped fibres have been
Figures and tables Table 1 Supplementary Table S1 Supplementary Table S2 Supplementary Table S3ADVERTISEMENT Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Volume 134, 5 January 2015, Pages 316–325 Vibrational spectroscopic (FT-IR and FT-Raman) studies, HOMO–LUMO, NBO analysis ...
The effect of the substrate metals on the catalytic activity of ORR has been studied with some experimental methods, including scanning tunneling microscopy (STM) [11], photoelectron [12], and vibrational spectroscopy [13]. However, those methods could only give indirect information about adsorption...