scholarly journals Theoretical characterization of sulfur-to-selenium substitution in an emissive RNA alphabet: impact on H-bonding potential and photophysical properties

2018 ◽  
Vol 20 (11) ◽  
pp. 7676-7685 ◽  
Author(s):  
Mohit Chawla ◽  
Albert Poater ◽  
Pau Besalú-Sala ◽  
Kanav Kalra ◽  
Romina Oliva ◽  
...  
Keyword(s):  
Optical Properties ◽  
Quantum Mechanics ◽  
Photophysical Properties ◽  
Selenium Substitution ◽  
Theoretical Characterization

Quantum mechanics calculations have been performed to investigate the structural, energetic and optical properties of a novel computationally designed RNA alphabet containing selenium.

Experimental and Theoretical Characterization of the Optical Properties of CeO2, SrCeO3, and Sr2CeO4 Containing Ce4+ (f0) Ions.

ChemInform ◽  
2004 ◽  
Vol 35 (17) ◽  
Author(s):  
Fabrice Goubin ◽  
Xavier Rocquefelte ◽  
Myung-Hwan Whangbo ◽  
Yvan Montardi ◽  
Raymond Brec ◽  
...  
Keyword(s):  
Optical Properties ◽  
Theoretical Characterization

Experimental and Theoretical Characterization of the Optical Properties of CeO2, SrCeO3, and Sr2CeO4Containing Ce4+(f0) Ions

2004 ◽  
Vol 16 (4) ◽  
pp. 662-669 ◽  
Author(s):  
Fabrice Goubin ◽  
Xavier Rocquefelte ◽  
Myung-Hwan Whangbo ◽  
Yvan Montardi ◽  
Raymond Brec ◽  
...  
Keyword(s):  
Optical Properties ◽  
Theoretical Characterization

Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Properties and Molecular Nonlinearity

2020 ◽  
Author(s):  
Zeyu Liu ◽  
Shugui Hua ◽  
Tian Lu ◽  
Ziqi Tian
Keyword(s):  
Optical Properties ◽  
Rational Design ◽  
Rayleigh Scattering ◽  
Function Analysis ◽  
Theoretical Calculations ◽  
Photophysical Properties ◽  
Optical Nonlinearity ◽  
Nonlinear Properties ◽  
Photoelectric Performance ◽  
Wave Function Analysis

Inspired by a previous experimental study on the first-order hyperpolarizabilities of 1,3-thiazolium-5-thiolates mesoionic compounds using Hyper-Rayleigh scattering technique, we theoretically investigated the UV-Vis absorption spectra and every order polarizabilities of these mesoionic molecules. Based on the fact that the photophysical and nonlinear properties observed in the experiment can be perfectly replicated, our theoretical calculations explored the essential characteristics of the optical properties of the mesoionic compounds with different electron-donating groups at the level of electronic structures through various wave function analysis methods. The influence of the electron-donating ability of the donor on the optical properties of the molecules and the contribution of the mesoionic ring moiety to their optical nonlinearity are clarified, which have not been reported by any research so far. This work will help people understand the nature of optical properties of mesoionic-based molecules and provide guidance for the rational design of molecules with excellent photoelectric performance in the future.

scholarly journals Comparison of ISS–CATS and CALIPSO–CALIOP Characterization of High Clouds in the Tropics

2020 ◽  
Vol 12 (23) ◽  
pp. 3946
Author(s):  
Pasquale Sellitto ◽  
Silvia Bucci ◽  
Bernard Legras
Keyword(s):  
Optical Properties ◽  
Space Station ◽  
Satellite Observation ◽  
Observation Data ◽  
Upper Troposphere ◽  
Cloud Properties ◽  
Synchronous Orbit ◽  
The Tropics ◽  
High Clouds

Clouds in the tropics have an important role in the energy budget, atmospheric circulation, humidity, and composition of the tropical-to-global upper-troposphere–lower-stratosphere. Due to its non-sun-synchronous orbit, the Cloud–Aerosol Transport System (CATS) onboard the International Space Station (ISS) provided novel information on clouds from space in terms of overpass time in the period of 2015–2017. In this paper, we provide a seasonally resolved comparison of CATS characterization of high clouds (between 13 and 18 km altitude) in the tropics with well-established CALIPSO (Cloud–Aerosol Lidar and Infrared Pathfinder Satellite Observation) data, both in terms of clouds’ occurrence and cloud optical properties (optical depth). Despite the fact that cloud statistics for CATS and CALIOP are generated using intrinsically different local overpass times, the characterization of high clouds occurrence and optical properties in the tropics with the two instruments is very similar. Observations from CATS underestimate clouds occurrence (up to 80%, at 18 km) and overestimate the occurrence of very thick clouds (up to 100% for optically very thick clouds, at 18 km) at higher altitudes. Thus, the description of stratospheric overshoots with CATS and CALIOP might be different. While this study hints at the consistency of CATS and CALIOP clouds characterizaton, the small differences highlighted in this work should be taken into account when using CATS for estimating cloud properties and their variability in the tropics.

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