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51.
The emission spectrum of HCl+ has been measured and analyzed for four isotopic combinations. These analyses extend previous work and provide rotational constants for the v = 0–2 levels of the ground state and for the v = 0–9 levels of the excited state. RKR potentials have been determined for both states, although the upper state could not be fitted precisely to such a model. Calculated relative intensities based on these potentials demonstrated that the electronic transition moment must change rapidly with lower state vibrational quantum number. Although considerable caution should be exercised in applying the concept of equilibrium constants to the state, the following are the best estimates of these constants (in cm?1) for the state of H35Cl+: Be = 9.9406, ωe = 2673.7, Ae = ? 643.7, and . For the state of H35Cl: Te = 28 628.08, Be ~ 7.505, ωe ~ 1606.5, and . 相似文献
52.
We construct SO(3) symmetric, irreducible instantons in an SU(n) gauge theory. The solutions are symmetric with respect to J = ?ir × ? + T, where T spans the maximal SO(3) subalgebra of SU(n). Our ansatz as well as the resulting self dual equations are closely related to those for monopoles. 相似文献
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A series of MP2 and CCSD(T) computations have been carried out with correlation consistent basis sets as large as aug-cc-pV5Z to determine the intrinsic equatorial-axial conformational preference of CH(3)-, F-, OCH(3)-, and OH-substituted cyclohexane and tetrahydropyran rings. The high-accuracy relative electronic energies reported here shed new light on the intrinsic energetics of these cyclic prototypes for the anomeric effect. At the CCSD(T) complete basis set (CBS) limit, the energy of the equatorial conformation relative to the axial position (DeltaE (CBS)(CCSD(T))) is -1.75, -0.20, -0.21, and -0.56 kcal mol(-1) in methyl-, fluoro-, methoxy-, and hydroxycyclohexane, respectively, while DeltaE(CBS)(CCSD(T) is -2.83, +2.45, +1.27, and +0.86 kcal mol(-1) for 2-methyl-, 2-fluoro-, 2-methoxy-, and 2-hydroxytetrahydropyran, respectively. Note that the equatorial and axial conformers are nearly electronically isoenergetic in both fluoro- and methoxycyclohexane. For all eight cyclic species, a zero-point vibrational energy correction decreases Delta by a few tenths of a kilocalorie per mole. Relative energies obtained with popular methods and basis sets are unreliable, including Hartree-Fock theory, the B3LYP density functional, and the 6-31G and 6-311G families of split-valence basis sets. Even with the massive pentuple-zeta basis sets, the HF and B3LYP methods substantially overestimate the stability of the equatorial conformers (by as much as 0.99 and 0.73 kcal mol(-1), respectively, for 2-methoxytetrahydropyran). Only because of a consistent cancellation of errors do these popular approaches sometimes provide reasonable estimates of the anomeric effect. 相似文献
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56.
Marcus K Weldon K.T Queeney Joseph Eng Jr Krishnan Raghavachari Yves J Chabal 《Surface science》2002,500(1-3):859-878
Due to the extreme dimensional scaling required by Moore's law, Si device technology is increasingly subject to the limitations imposed by the intrinsic physics and chemistry of surfaces and interfaces. In this review we outline ways in which fundamental surface science has contributed an understanding to the microelectronics community and discuss areas where surface science may impact future development. We focus on the example of silicon dioxide (SiO2) on silicon, since this interface lies at the heart of modern transistor technology and has therefore received a great deal of attention in recent years. We highlight a number of experimental and theoretical approaches that have elucidated the fundamental phenomena associated with the formation and evolution of this critical technological interface, revealing the remarkable interdependence of science and technology that now characterizes this rapidly evolving industry. 相似文献
57.
V. Weldon P. Pineda-Vadillo M. Lynch R. Phelan J. F. Donegan 《Applied physics. B, Lasers and optics》2012,109(3):433-440
The characteristics of a novel Discrete Mode laser diode are described with particular reference to its capability in spectroscopic based gas sensing. In this regard, its emission linewidth, Side Mode Suppression Ratio and tuneability are of particular note. The measured narrow linewidth of 550?kHz has applications with respect to spectrally narrow absorption features found, for example, in saturated absorption lines, in hyperfine structure of some rotational manifolds and in whispering gallery mode features associated with optical microspheres. Other notable measured characteristics show mode-hop-free temperature tuning of 11 nm at a linear tuning rate of 0.1 nm/°C and a Side Mode Suppression Ratio in the range 56 to 46 dB and a long term (72?hours) wavelength stability of 1?pm per day. In essence, this novel Discrete Mode laser displays excellent potential for diode laser based sensing applications in the near infrared. 相似文献
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H. Arthur Weldon 《Zeitschrift fur Physik C Particles and Fields》1992,54(3):431-437
The energy dependence of the pion and kaon collision rates at finite-temperature are calculated in the approximation that resonances dominate the scattering, as for example, ππ→?→ππ andKπ→K *→Kπ. A general formula is derived for the contribution of resonances with arbitrary spin and isospin. Numerical results are given. For very narrow resonances the calculation is performed analytically. 相似文献
60.
Weldon James Wilson 《Physics letters. A》1980,75(3):156-158
The nonintegrable phase factor approach to interactions is generalized in the case of a Dirac particle. The results differ significantly from those obtained in the Schrödinger theory and allow Dirac particles to be characterized by two fundamental couplings. 相似文献