排序方式: 共有35条查询结果,搜索用时 0 毫秒
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CM Silva MF Duarte ML Mira MH Florêncio K Versluis AJ Heck 《Rapid communications in mass spectrometry : RCM》1999,13(12):1098-1103
Fast atom bombardment, combined with high-energy collision-induced tandem mass spectrometry, has been used to investigate gas-phase metal-ion interactions with captopril, enalaprilat and lisinopril, all angiotensin-converting enzyme inhibitors.Suggestions for the location of metal-binding sites are presented. For captopril, metal binding occurs most likely at both the sulphur and the nitrogen atom. For enalaprilat and lisinopril, binding preferably occurs at the amine nitrogen. Copyright 1999 John Wiley & Sons, Ltd. 相似文献
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Oliver G. Maupin Andrew D. Baczewski Peter J. Love Andrew J. Landahl 《Entropy (Basel, Switzerland)》2021,23(6)
We present example quantum chemistry programs written with JaqalPaq, a python meta-programming language used to code in Jaqal (Just Another Quantum Assembly Language). These JaqalPaq algorithms are intended to be run on the Quantum Scientific Computing Open User Testbed (QSCOUT) platform at Sandia National Laboratories. Our exemplars use the variational quantum eigensolver (VQE) quantum algorithm to compute the ground state energies of the , , and molecules. Since the exemplars focus on how to program in JaqalPaq, the calculations of the second-quantized Hamiltonians are performed with the PySCF python package, and the mappings of the fermions to qubits are obtained from the OpenFermion python package. Using the emulator functionality of JaqalPaq, we emulate how these exemplars would be executed on an error-free QSCOUT platform and compare the emulated computation of the bond-dissociation curves for these molecules with their exact forms within the relevant basis. 相似文献
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Young L Arms DA Dufresne EM Dunford RW Ederer DL Höhr C Kanter EP Krässig B Landahl EC Peterson ER Rudati J Santra R Southworth SH 《Physical review letters》2006,97(8):083601
We have developed a synchrotron-based, time-resolved x-ray microprobe to investigate optical strong-field processes at intermediate intensities (10(14) - 10(15) W/cm2). This quantum-state specific probe has enabled the direct observation of orbital alignment in the residual ion produced by strong-field ionization of krypton atoms via resonant, polarized x-ray absorption. We found strong alignment to persist for a period long compared to the spin-orbit coupling time scale (6.2 fs). The observed degree of alignment can be explained by models that incorporate spin-orbit coupling. The methodology is applicable to a wide range of problems. 相似文献
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M. T. Landahl 《Applied Scientific Research》1993,51(1-2):435-443
The evolution of an intermittently created isolated three-dimensional turbulent eddy near a wall is followed in space and time on the assumption that its structure evolves on three separate time scales, a shear interaction one, a viscous one, and a nonlinear one. The large-time limit of the solution for the shear interaction stage shows many of the observed features of the near-wall turbulence structure such as the formation of shear layers, of streaks, and of streamwise vortices. It also provides initial conditions for the viscous and nonlinear stages showing viscous decay of convected structures and the possibility of a singularity in the nonlinear development. The eddy model is also used to construct a new model for the turbulent shear stress showing strong similarity to Prandtl's mixing-length model. 相似文献
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Jin Wang Eric Landahl Timothy Graber Reinhart Pahl Reinhart Pahl Linda Young 《Synchrotron Radiation News》2013,26(4):24-31
Scientific research in the time domain using the pulsed structure of the X-ray beams from a third-generation synchrotron source, such as the Advanced Photon Source (APS), has become a major interest among synchrotron users. The traditional material science, chemistry, and biology communities are getting an early glimpse of the potential impact of fast time-resolved X-ray studies. The scientific disciplines that have benefited from these studies include atomic and molecular physics, biology, chemical science, condensed matter physics, engineering science, environmental science, material science, and nuclear science. Technically, the turn-key-type femtosecond (fs) optical lasers with high peak power, used as pumps in many X-ray pump-probe experiments, have only recently become available. 相似文献
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Trigo M Sheu YM Arms DA Chen J Ghimire S Goldman RS Landahl E Merlin R Peterson E Reason M Reis DA 《Physical review letters》2008,101(2):025505
Ultrafast laser excitation of an InGaAs/InAlAs superlattice (SL) creates coherent folded acoustic phonons that subsequently leak into the bulk (InP) substrate. Upon transmission, the phonons become "unfolded" into bulk modes and acquire a wave vector much larger than that of the light. We show that time-resolved x-ray diffraction is sensitive to this large-wave vector excitation in the substrate. Comparison with dynamical diffraction simulations of propagating strain supports our interpretation. 相似文献