Platinum diimine-dithiolate complexes as a new class of photoconducting compounds for pristine photodetectors: case study on [Pt(bipy)(Naph-edt)] (bipy = 2,2'-bipyridine; Naph-edt2– = 2-naphthylethylene-1,2-dithiolate)

2021 ◽  
Author(s):  
Massimiliano Arca ◽  
Maria Carla Aragoni ◽  
Maddalena Binda ◽  
Claudia Caltagirone ◽  
Vito Lippolis ◽  
...  
Keyword(s):  
Dft Calculations ◽  
New Class ◽  
Dithiolate Complexes

The photoconducting properties of platinum diimine-dithiolate complex [Pt(bipy)(Naph-edt)] (1; bipy = 2,2'-bipyridine; Naph-edt2– = 2-naphthylethylene-1,2-dithiolate) were investigated. DFT calculations on a model assembly with four complex units suggest that the...

A Case Study - NeuBase Therapeutics, Inc.

2021 ◽  
Vol 26 (2) ◽  
Author(s):  
Dietrich A. Stephan
Keyword(s):  
Gene Function ◽  
Genetic Defects ◽  
New Class ◽  
Genetic Revolution

NeuBase is accelerating the genetic revolution by developing a new class of precision genetic medicines which can be designed to increase, decrease, or change gene function, as appropriate, to resolve genetic defects that drive disease.

A DFT study of a new class of gold nanocluster-photochrome multi-functional switches

2014 ◽  
Vol 16 (47) ◽  
pp. 26240-26251 ◽  
Author(s):  
Arnaud Fihey ◽  
François Maurel ◽  
Aurélie Perrier
Keyword(s):  
Dft Calculations ◽  
Electronic Properties ◽  
Electron Energy ◽  
Dft Study ◽  
Gold Nanocluster ◽  
New Class ◽  
Energy Transfers ◽  
Td Dft ◽  
Structural And Electronic Properties ◽  
Photochromic Molecules

The structural and electronic properties of dithienylethene photochromic molecules grafted onto a Au25 nanocluster are reviewed and electron/energy transfers are discussed with the help of (TD-)DFT calculations.

Newly-designed basket-shaped nanocarbon materials as strong and universal fullerene receptors

2020 ◽  
Vol 22 (3) ◽  
pp. 976-980
Author(s):  
Wei-Wei Wang ◽  
Fu-Lin Shang ◽  
Xiang Zhao
Keyword(s):  
Dft Calculations ◽  
Binding Energies ◽  
New Class ◽  
Strong Binding ◽  
Nanocarbon Materials ◽  
Guest Chemistry

DFT calculations were performed to study the host–guest chemistry of a new class of basket-shaped fullerene receptors with strong binding energies and flexible carbon skeletons.

Tudor Silver-Gilt Dress-hooks: A New Class of Treasure Find in England

2002 ◽  
Vol 82 ◽  
pp. 157-196 ◽  
Author(s):  
David Gaimster ◽  
Maria Hayward ◽  
David Mitchell ◽  
Karen Parker
Keyword(s):  
Sixteenth Century ◽  
Social Status ◽  
Historical Archaeology ◽  
Gender Bias ◽  
New Class ◽  
Documentary Sources

This paper combines a study of the typological, technological and constructional attributes of a sample of fifteen dress-hooks and cap-hooks, reported between 1998 and 2000 under the terms of the Treasure Act (1996), with a survey of contemporary pictorial sources, probate inventories and associated wills along with a trawl of ‘small wares’ in the records of the Goldsmiths' Company in order to assess the role of these accessories in vernacular dress of sixteenth-century England.Of particular interest are questions of manufacture and design, followed by the questions of how these objects functioned in relation to the closure and decoration of dress, their noteworthiness in contemporary accounts, their social status, their ranking in the output of contemporary goldsmiths and whether there was a gender bias in terms of their ownership. This cross-examination of excavated finds with contemporary iconographie and documentary sources represents an interdisciplinary case study in historical archaeology.

Reduction of Stress in Plastic Compliant Mechanisms by Introducing Metallic Reinforcement

2017 ◽  
Author(s):  
Joshua Crews ◽  
Ashok Midha ◽  
Lokeswarappa R. Dharani
Keyword(s):  
Stress Relaxation ◽  
Compliant Mechanisms ◽  
Experimental Testing ◽  
Testing Device ◽  
Bending Stress ◽  
New Class ◽  
Metallic Reinforcement ◽  
Creep And Stress Relaxation

A method is provided and validated for redesigning compliant segments to improve their fatigue, creep, and stress relaxation performance. The method reduces the bending stress in the polymer portion of the compliant segment without the need for overall mechanism redesign, by introducing metallic reinforcement and by matching the force-deflection response of the redesigned segment to that of the baseline segment. An example redesign case study is presented and validated with experimental testing using a unique deflection testing device designed for fixed-free compliant mechanisms. This vein of research is undertaken using metallic reinforcement (inserts) toward the development of a new class of compliant mechanisms with significantly greater performance, particularly insofar as the problems of fatigue and creep are concerned.

scholarly journals Evidence for Alkene cis-Aminocupration, an Aminooxygenation Case Study: Kinetics, EPR Spectroscopy, and DFT Calculations

2012 ◽  
Vol 18 (6) ◽  
pp. 1711-1726 ◽  
Author(s):  
Monissa C. Paderes ◽  
Lee Belding ◽  
Branden Fanovic ◽  
Travis Dudding ◽  
Jerome B. Keister ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Epr Spectroscopy

Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study

RSC Advances ◽  
2014 ◽  
Vol 4 (97) ◽  
pp. 54447-54453 ◽  
Author(s):  
Md Bin Yeamin ◽  
N. Faginas-Lago ◽  
M. Albertí ◽  
I. G. Cuesta ◽  
J. Sánchez-Marín ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Dft Calculations ◽  
Modeling And Simulation ◽  
Molecular Dynamics Simulations ◽  
Multiscale Modeling ◽  
Molecular Hydrogen ◽  
Hydrogen Adsorption ◽  
Multi Scale ◽  
Dynamics Simulations

Multiscale modeling and simulation (MMS) combining B97-D/TZV2P DFT calculations and molecular dynamics simulations are performed to investigate the adsorption of hydrogen over coronene as a model of graphene.

Pushing the Envelope of Residual Oil Measurement: A Field Case Study of a New Class of Inter-Well Chemical Tracers

2016 ◽  
Author(s):  
Modiu Sanni ◽  
Mohammed Al-Abbad ◽  
Sunil Kokal ◽  
Øyvind Dugstad ◽  
Sven Hartvig ◽  
...  
Keyword(s):  
Residual Oil ◽  
Field Case ◽  
Chemical Tracers ◽  
New Class
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