Linear and nonlinear spectroscopic techniques applied to study of transient molecular species [PDF]
, 2011 Carbon chain radicals and ions have long been known to exist in the interstellar medium, and considered as potential carriers for diffuse interstellar bands.
Raghunandan, Ranjini
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Molecules, 2023 A new green procedure has been applied for the synthesis and purification of asymmetric monomethine cyanine dyes. The photophysical properties of the newly synthesized compounds have been examined by combined application of spectroscopic and theoretical ...
Sonia Ilieva +5 more
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Investigations on spectroscopic parameters and molecular constants of SO+ (b4∑-) cation
Acta Physica Sinica, 2012 The potential energy curve (PEC) of b4Σ- electronic state of the SO+ cation is calculated using the internally contracted multireference configuration interaction approach with the Davidson modification (MRCI+Q) for internuclear separations from 0.103 to 1.083 nm. The basis set used is a correlation- consistent aug-cc-pV5Z basis set.
null Xing Wei +4 more
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Spectroscopic constants from atomic properties: a machine learning approach [PDF]
, 2023 We present a machine-learning approach toward predicting spectroscopic constants based on atomic properties. After collecting spectroscopic information on diatomics and generating an extensive database, we employ Gaussian process regression to identify ...
Ibrahim, Mahmoud A. E. +2 more
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Understanding exciton diffusion in organic solar cells [PDF]
, 2013 Organic solar cells are promising candidates for future energy production. However, many challenges remain to optimise efficiency. One particular challenge lies in our understanding of the factors affecting exciton diffusion and the length scale of this
Illingworth, Amy
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The Astrophysical Journal, 2023 Cyanides, ranging from three carbon atoms to polycyclic aromatic hydrocarbons, and alkenyl compounds are abundant in the interstellar medium. Aminoacrylonitrile (3-Amino-2-propenenitrile, H _2 N–CH=CH–C≡N), an alkenyl cyanide, thus represents a promising
D. Alberton +7 more
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Interaction of anticancer reduced Schiff base coumarin derivatives with human serum albumin investigated by fluorescence quenching and molecular modeling [PDF]
, 2014 The specific binding of five reduced Schiff base derived 7-amino-coumarin compounds with antitumor activity to human serum albumin, the principal binding protein of blood, was studied by fluorescence spectroscopy.
Enyedy Éva Anna +14 more
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Binuclear copper(II) complexes: Synthesis, structural characterization, DNA binding and in silico studies [PDF]
Journal of the Serbian Chemical Society, 2020 Two new binuclear Cu(II) complexes represented by the general formula {(dmso)Cu(μ-L)4Cu(dmso)} (1) and {(Phen)(L)Cu(μ-L)2Cu(L)(Phen)} (2) where dmso = dimethyl sulphoxide, L = 2-bromophenyl acetate and Phen = = 1,10-phenanthroline have been synthesized ...
Kamran Abdul Waheed +5 more
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Rate constants for the reaction of NO and HO2 with peroxy radicals formed from the reaction of OH, Cl or NO3 with alkenes, dienes and α,β-unsaturated carbonyls [PDF]
, 2003 Rate constants for the gas-phase reaction of NO and HO2 radicals with 33 peroxy radicals are presented. The peroxy radicals are derived from the addition of either OH, Cl, or NO3 radicals, followed by addition of O2, to a series of alkenes ...
King, M.D., Thompson, Katherine C.
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A millifluidic calorimeter with InfraRed thermography for the measurement of chemical reaction enthalpy and kinetics [PDF]
, 2008 The aim of this work is to present an infrared calorimeter for the measurement of the kinetics and the enthalpy of high exothermic chemical reactions. The main idea is to use a millifluidic chip where the channel acts as a chemical reactor.
PRADERE, Christophe +3 more
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