Based on vibration analysis, single-layered graphene sheet （SLGS） with multiple attached nanoparticles is developed as nanoscale mass sensor in thermal environments. Graphene sensors are assumed to be in simplysuppo...Based on vibration analysis, single-layered graphene sheet （SLGS） with multiple attached nanoparticles is developed as nanoscale mass sensor in thermal environments. Graphene sensors are assumed to be in simplysupported configuration. Based on the nonlocal plate the- ory which incorporates size effects into the classical theory, closed-form expressions lot the frequencies and relative fre- quency shills of SLGS-based mass sensor are derived using the Galerkin method. The suggested model is justified by a good agreement between the results given by the present model and available data in literature. The effects of tem- perature difference, nonlocal parameter, the location of the nanoparticle and the number of nanoparticles on the relative frequency shift of the mass sensor are also elucidated. The obtained results show that the sensitivity of the SLGS- based mass sensor increases with increasing temperature difference.展开更多
Quantum chemical calculations on some possible equilibrium geometries of C24O2 isomers derived from C24 （D6） and C24O have been performed using density functional theory （DFT） method. The geometric and electronic ...Quantum chemical calculations on some possible equilibrium geometries of C24O2 isomers derived from C24 （D6） and C24O have been performed using density functional theory （DFT） method. The geometric and electronic structures as well as the relative energies and thermal stabilities of various C24O2 isomers at the ground state have been calculated at the B3LYP/6-31G（d） level of theory. And the 1,4,2,5-C24O2 isomer was found to be the most stable geometry where two oxygen atoms were added to the longest carbon-carbon bonds in the same pentagon from a thermodynamic point of view. Based on the optimized neutral geometries, the vertical ionization potential and vertical electron affinity have been obtained. Meanwhile, the vibrational frequencies, IR spectrum, and 13C chemical shifts of various C24O2 isomers have been calculated and analyzed.展开更多
Spring water but not double-distilled water was exposed, in darkness, to a temporally patterned weak magnetic field that has been shown to affect planarian behavior and slow the rate of cancer cell proliferation. Expo...Spring water but not double-distilled water was exposed, in darkness, to a temporally patterned weak magnetic field that has been shown to affect planarian behavior and slow the rate of cancer cell proliferation. Exposure to the magnetic field caused a reliable shift in the peak (longer) wave-length of ~10 nm for fluorescence emissions and a ~20% increase (~100 counts) in fluorescence intensity. Spectral analyses verified a shift of 5 and 10 nm, equivalent to ~1.5 × 10-20 J “periodicity” across the measured wavelengths, which could reflect a change in the an intrinsic energy as predicted by Del Giudice and Preparata and could correspond to two lengths of O-H bonds. Wrapping the water sample containers during exposure with copper foil, aluminum foil, or plastic altered these fluorescent profiles. The most conspicuous effect was the elimination of a ~280 nm peak in the UV-VIS emission spectra only for samples wrapped with copper foil but not aluminum or plastic. These results suggest that weak magnetic fields produce alterations in the water-ionic complexes sufficient to be reliably measured by spectrophotometry. Because the effect was most pronounced when the spring water was exposed in darkness and was not disturbed the role of thixotropic phenomena and Del Giudice entrapment of magnetic fields within coherent domains of Pollack virtual exclusion zones (EZ) may have set the conditions for subsequent release of the energy as photons.展开更多
The equilibrium geometries, energies, harmonic vibrational frequencies, and nucleus independent chemical shifts （NICS） of the new type sandwich structures [As4MAs4]^n- （M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir and Pt; n ...The equilibrium geometries, energies, harmonic vibrational frequencies, and nucleus independent chemical shifts （NICS） of the new type sandwich structures [As4MAs4]^n- （M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir and Pt; n = 0, 1 or 2） are investigated at the B3LYP level. All the [As4MAs4]^n- species adopt staggered （D4d） conformations as their stable structures and eclipsed （D4h） conformations as their transition states, and once the sandwich complexes are formed, the As4^2- square properties remain unchanged. The NICS calculation confirms that the complexes of Fe, Co, and Ni are aromatic with negative NICS values, and those of Ru, Rh, and lx exhibit slight aromaticity, while those of Pd, Os, and Pt show slight antiaromaticity.展开更多
The theory of chemical shift effect of substituent was applied to the assignment of the 13 C NMR spectra of the ethylene/propylene and ethylene/octene 1 copolymers. Using the parameters derived above a...The theory of chemical shift effect of substituent was applied to the assignment of the 13 C NMR spectra of the ethylene/propylene and ethylene/octene 1 copolymers. Using the parameters derived above and the DEPT technique, we then entirely assigned the 13 C NMR spectra of the ethylene/propylene/octene 1 terpolymers synthesized in the presence of the same heterogeneous supported Ziegler Natta catalyst, TiCl 4/MgCl 2/ i Bu 3Al. The present paper also covers the terpolymer composition and the monomer sequence distributions of a series of ethylene/propylene/octene 1 terpolymers.展开更多
Based on the structure of chute - feed and autoleveHer, an analysis of their working principle and the verification of their practical production results have been carried out. Finally, the future investigation direet...Based on the structure of chute - feed and autoleveHer, an analysis of their working principle and the verification of their practical production results have been carried out. Finally, the future investigation direetiom of chute - feed and card autuleveller are put forward.展开更多
Density functional theory(DFT)calculations were carried out on some cyclohexane derivatives to investigate the deviation atoms on the 1-and 4-positions of chair plane.The deviations of chair plane of two position in t...Density functional theory(DFT)calculations were carried out on some cyclohexane derivatives to investigate the deviation atoms on the 1-and 4-positions of chair plane.The deviations of chair plane of two position in the cyclohexane derivatives were calculated at the B3LYP/6–31++G(d,p)level.Furthermore,we investigated the correlation between deviations of two positions from chair plane on the chemical shift hydrogen atoms on the 4-position.展开更多
Since the late 1990s, a climate shift has occurred over the tropical Pacific that is characterized with a La Nifia-like mean state. Coincident with this climate shift, climate models＇ skills in predicting the El Nifi...Since the late 1990s, a climate shift has occurred over the tropical Pacific that is characterized with a La Nifia-like mean state. Coincident with this climate shift, climate models＇ skills in predicting the El Nifio Southern Oscillation （ENSO） events in the 2000s are sig- nificantly lower than in the 1980s-1990s, A common bias is likely to exist in contemporary ENSO models that got amplified after the climate shift. In this study, we identify this model bias to be the wind-sea surface temperature coupling processes over the tropical Pacific. Evidence is presented to show that this coupling process experienced an obvious shift around year 2000 in its coupling strength and coupling center. A simple ENSO coupled model is used to demonstrate that the changing properties of the post-2000 ENSO events can be more realistically simulated if this model bias is alleviated.展开更多
文摘Based on vibration analysis, single-layered graphene sheet （SLGS） with multiple attached nanoparticles is developed as nanoscale mass sensor in thermal environments. Graphene sensors are assumed to be in simplysupported configuration. Based on the nonlocal plate the- ory which incorporates size effects into the classical theory, closed-form expressions lot the frequencies and relative fre- quency shills of SLGS-based mass sensor are derived using the Galerkin method. The suggested model is justified by a good agreement between the results given by the present model and available data in literature. The effects of tem- perature difference, nonlocal parameter, the location of the nanoparticle and the number of nanoparticles on the relative frequency shift of the mass sensor are also elucidated. The obtained results show that the sensitivity of the SLGS- based mass sensor increases with increasing temperature difference.
文摘Quantum chemical calculations on some possible equilibrium geometries of C24O2 isomers derived from C24 （D6） and C24O have been performed using density functional theory （DFT） method. The geometric and electronic structures as well as the relative energies and thermal stabilities of various C24O2 isomers at the ground state have been calculated at the B3LYP/6-31G（d） level of theory. And the 1,4,2,5-C24O2 isomer was found to be the most stable geometry where two oxygen atoms were added to the longest carbon-carbon bonds in the same pentagon from a thermodynamic point of view. Based on the optimized neutral geometries, the vertical ionization potential and vertical electron affinity have been obtained. Meanwhile, the vibrational frequencies, IR spectrum, and 13C chemical shifts of various C24O2 isomers have been calculated and analyzed.
文摘Spring water but not double-distilled water was exposed, in darkness, to a temporally patterned weak magnetic field that has been shown to affect planarian behavior and slow the rate of cancer cell proliferation. Exposure to the magnetic field caused a reliable shift in the peak (longer) wave-length of ~10 nm for fluorescence emissions and a ~20% increase (~100 counts) in fluorescence intensity. Spectral analyses verified a shift of 5 and 10 nm, equivalent to ~1.5 × 10-20 J “periodicity” across the measured wavelengths, which could reflect a change in the an intrinsic energy as predicted by Del Giudice and Preparata and could correspond to two lengths of O-H bonds. Wrapping the water sample containers during exposure with copper foil, aluminum foil, or plastic altered these fluorescent profiles. The most conspicuous effect was the elimination of a ~280 nm peak in the UV-VIS emission spectra only for samples wrapped with copper foil but not aluminum or plastic. These results suggest that weak magnetic fields produce alterations in the water-ionic complexes sufficient to be reliably measured by spectrophotometry. Because the effect was most pronounced when the spring water was exposed in darkness and was not disturbed the role of thixotropic phenomena and Del Giudice entrapment of magnetic fields within coherent domains of Pollack virtual exclusion zones (EZ) may have set the conditions for subsequent release of the energy as photons.
文摘The equilibrium geometries, energies, harmonic vibrational frequencies, and nucleus independent chemical shifts （NICS） of the new type sandwich structures [As4MAs4]^n- （M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir and Pt; n = 0, 1 or 2） are investigated at the B3LYP level. All the [As4MAs4]^n- species adopt staggered （D4d） conformations as their stable structures and eclipsed （D4h） conformations as their transition states, and once the sandwich complexes are formed, the As4^2- square properties remain unchanged. The NICS calculation confirms that the complexes of Fe, Co, and Ni are aromatic with negative NICS values, and those of Ru, Rh, and lx exhibit slight aromaticity, while those of Pd, Os, and Pt show slight antiaromaticity.
基金Supported by the Foundation of Educational Ministry of China.
文摘The theory of chemical shift effect of substituent was applied to the assignment of the 13 C NMR spectra of the ethylene/propylene and ethylene/octene 1 copolymers. Using the parameters derived above and the DEPT technique, we then entirely assigned the 13 C NMR spectra of the ethylene/propylene/octene 1 terpolymers synthesized in the presence of the same heterogeneous supported Ziegler Natta catalyst, TiCl 4/MgCl 2/ i Bu 3Al. The present paper also covers the terpolymer composition and the monomer sequence distributions of a series of ethylene/propylene/octene 1 terpolymers.
文摘Based on the structure of chute - feed and autoleveHer, an analysis of their working principle and the verification of their practical production results have been carried out. Finally, the future investigation direetiom of chute - feed and card autuleveller are put forward.
文摘Density functional theory(DFT)calculations were carried out on some cyclohexane derivatives to investigate the deviation atoms on the 1-and 4-positions of chair plane.The deviations of chair plane of two position in the cyclohexane derivatives were calculated at the B3LYP/6–31++G(d,p)level.Furthermore,we investigated the correlation between deviations of two positions from chair plane on the chemical shift hydrogen atoms on the 4-position.
基金supported by the National Program for Support of Top-notch Young Professionalsthe National Basic Research Program of China(2012CB955202)+1 种基金the Chinese Academy Sciences’Project‘‘Western Pacific Ocean System:Structure,Dynamics and Consequences’’(XDA10010405)the National Natural Science Foundation of China(41576019)
文摘Since the late 1990s, a climate shift has occurred over the tropical Pacific that is characterized with a La Nifia-like mean state. Coincident with this climate shift, climate models＇ skills in predicting the El Nifio Southern Oscillation （ENSO） events in the 2000s are sig- nificantly lower than in the 1980s-1990s, A common bias is likely to exist in contemporary ENSO models that got amplified after the climate shift. In this study, we identify this model bias to be the wind-sea surface temperature coupling processes over the tropical Pacific. Evidence is presented to show that this coupling process experienced an obvious shift around year 2000 in its coupling strength and coupling center. A simple ENSO coupled model is used to demonstrate that the changing properties of the post-2000 ENSO events can be more realistically simulated if this model bias is alleviated.
