Remarkable aromaticity of cobalt bis(dicarbollide) derivatives: a NICS study
Sign Up to like & getrecommendations! Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2272-6
Abstract: In this work, a novel study on aromaticity for a series of cobalt bis(dicarbollide) derivatives: $$[{\hbox {3-Co-}}({\hbox {1,2-C}}_{2}{\hbox {B}}_9{\hbox {H}}_9)_{2}{\hbox {RX}]^-}\, ({\hbox {R, X}}={\hbox {H}},{\hbox {NH}}_2,{\hbox {NO}}_2,{\hbox {CH}}_3, {\hbox {COH}},{\hbox {OCH}}_3,{\hbox {C}}_6{\hbox {H}}_5,{\hbox {Cl}}$$[3-Co-(1,2-C2B9H9)2RX]-(R, X=H,NH2,NO2,CH3,COH,OCH3,C6H5,Cl)… read more here.
Keywords: cobalt bis; aromaticity; hbox hbox; bis dicarbollide ... See more keywords
Radiative association of P and Cl atoms
Sign Up to like & getrecommendations! Published in 2020 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-020-02606-y
Abstract: Thermal rate constants for the formation of PCl radical via radiative association have been estimated from potential energy curves and dipole moments calculated by accurate ab initio methods. The formation of PCl through radiative association… read more here.
Keywords: hbox hbox; chemistry; radiative association; association ... See more keywords
Constraints on oxygen fugacity within metal capsules
Sign Up to like & getrecommendations! Published in 2017 at "Physics and Chemistry of Minerals"
DOI: 10.1007/s00269-017-0937-7
Abstract: Experiments were conducted with olivine encapsulated or wrapped in five different metals (Pt, Ni, $$\hbox {Ni}_{70}\hbox {Fe}_{30}$$Ni70Fe30, Fe, and Re) to determine the oxygen fugacity in the interior of large capsules used for deformation and… read more here.
Keywords: hbox hbox; hbox fo2; metal; oxygen fugacity ... See more keywords
Nonparametric location–scale model for the joint forecasting of $$\hbox {SO}_{{2}}$$ and $$\hbox {NO}_{{x}}$$ pollution episodes
Sign Up to like & getrecommendations! Published in 2020 at "Stochastic Environmental Research and Risk Assessment"
DOI: 10.1007/s00477-020-01901-1
Abstract: We present a method to forecast pollution episodes with a bivariate response. The method simultaneously estimates the concentrations of two pollutants, using historical data. It is based on a location–scale model where the means and… read more here.
Keywords: location scale; pollution episodes; hbox hbox; model ... See more keywords
Electrical and Thermal Characteristics of the Insulator–Metal Transition in Crystalline $$\hbox {V}_{2}\hbox {O}_{5}$$V2O5 Films
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Thermophysics"
DOI: 10.1007/s10765-017-2290-y
Abstract: The electrical and thermal properties with respect to the crystallization in $$\hbox {V}_{2}\hbox {O}_{5}$$V2O5 thin films were investigated by measuring the resistance at different temperatures and applied voltages. The changes in the crystal structure of… read more here.
Keywords: hbox hbox; hbox; film; hbox v2o5 ... See more keywords
Voltage relaxation and Abrikosov–Josephson vortices in Bi-2223 superconductors doped with α-Al2O3 nanoparticles
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Materials Science: Materials in Electronics"
DOI: 10.1007/s10854-018-8565-7
Abstract: We have observed a change in the behaviour of voltage-relaxation curves with remnant magnetic flux, when the maximum magnetic field applied before starting the relaxation process, $$H_{am}$$Ham, reaches 80 Oe in two samples of $$\hbox {Bi}_{1.65}\hbox… read more here.
Keywords: voltage relaxation; hbox hbox; abrikosov josephson; hbox ... See more keywords
Influence of chemical substitution and pressure on structure, resistivity and magnetism of La1+xBa2−xFe3O8+δ (x = 0, 0.5, 1; 0
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Materials Science: Materials in Electronics"
DOI: 10.1007/s10854-018-9106-0
Abstract: Among those Fe-based perovskite $$R \hbox {Ba}_{2} \hbox {Fe}_{3} \hbox {O}_{8+\delta }$$RBa2Fe3O8+δ which are isomorphous to high-$$T_{c} \, R \hbox {Ba}_{2} \hbox {Cu}_{3} \hbox {O}_{7-\delta }$$TcRBa2Cu3O7-δ superconductors ($$R=\hbox {rare earth}$$R=rare earth and Y), the cubic… read more here.
Keywords: resistivity; magnetism; hbox delta; hbox hbox ... See more keywords
Investigation on the impedance spectroscopy and electrical conduction mechanism in $$\hbox {SrTi}_{1-x}\hbox {V}_{x}\hbox {O}_3$$SrTi1-xVxO3 ($$x = 0.00 \le x \le 0.15$$x=0.00≤x≤0.15) ceramics
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Materials Science: Materials in Electronics"
DOI: 10.1007/s10854-019-00991-0
Abstract: In this work, vanadium doped $$\hbox {SrTiO}_3$$SrTiO3 ($$\hbox {SrTi}_{1-x}\hbox {V}_x\hbox {O}_3$$SrTi1-xVxO3, $$x = 0.00 \le x \le 0.15$$x=0.00≤x≤0.15) ceramics are prepared via solid state reaction method. All the prepared samples are characterized by X-ray diffraction… read more here.
Keywords: srti hbox; hbox hbox; hbox srti; hbox srti1 ... See more keywords
Magnetic Enhancement and Suppression of Haldane Gap in Nanocrystals of Spin-Chain $${{\hbox {Y}}_{2}}{{\hbox {BaNiO}}_{5}}$$Y2BaNiO5
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Low Temperature Physics"
DOI: 10.1007/s10909-017-1765-3
Abstract: Nanometer scale is introduced in the well-known Haldane system $$\hbox {Y}_{2}\hbox {BaNiO}_{5}\,(S=1)$$Y2BaNiO5(S=1). Magnetization and pulsed-field electron spin resonance (ESR) measurements were performed. As a result, the magnetization of nanoparticles is much enhanced as compared with… read more here.
Keywords: hbox banio; haldane; banio y2banio5; hbox hbox ... See more keywords
Inhomogeneous Superconducting Behaviour in $$\hbox {La}_{5}\hbox {Ni}_{2}\hbox {Si}_{3}$$La5Ni2Si3
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Low Temperature Physics"
DOI: 10.1007/s10909-017-1794-y
Abstract: The superconducting phase transition at $$T_\mathrm{c} = 2.3$$Tc=2.3 K was observed for the electrical resistivity $$\rho ({T})$$ρ(T) and magnetic susceptibility $$\chi (T)$$χ(T) measurements in the ternary compound La$$_{5}\hbox {Ni}_{2}\hbox {Si}_{3}$$5Ni2Si3 that crystallizes in the hexagonal-type structure.… read more here.
Keywords: phase; hbox hbox; inhomogeneous superconducting; hbox ... See more keywords
Quasi-classical trajectory insight into stereodynamics for reaction $$\hbox {He}+\hbox {D}_{2}^{+}\rightarrow \hbox {HeD}^{+}+\hbox {D}$$He+D2+→HeD++D with the improved potential energy surface
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Mathematical Chemistry"
DOI: 10.1007/s10910-017-0732-1
Abstract: In this work, a theoretical study on the detailed vector correlation for the reaction $$\hbox {He}+\hbox {D}_{2}^{+}\rightarrow \hbox {HeD}^{+}+\hbox {D}~(\hbox {v}, \hbox {j})$$He+D2+→HeD++D(v,j) has been carried out at the collision energy of 23.06 kcal/mol with… read more here.
Keywords: energy; varvec; hbox hbox; hbox hed ... See more keywords