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Shi‐Hai Dong Guo‐Hua Sun M. Lozada‐Cassou 《International journal of quantum chemistry》2005,102(2):147-157
We generalize the Dirac equation to D + 1‐dimensional spacetime. The exact solutions of the D‐dimensional radial equations with a Coulomb plus scalar potential taking the form 1/r are analytically presented by studying the Tricomi equations. The energies E(n, l, D) are exactly presented. The dependences of the energies E(n, l, D) on the dimension D are analyzed in some detail. The energies E(n, 0, D) first decrease and then increase when increasing dimension D, but the energies E(n, l, D) (l ≠ 0) increase when increasing dimension D. The energies E(n, 0, D) are symmetric with respect to D = 1 for D ∈ (0, 2). It is shown that the energies E(n, l, D) (l ≠ 0) are almost independent of the quantum number l for large D and are completely independent of it if the Coulomb potential is equal to the scalar one. The energies E(n, l, D) almost overlap for large D. The dependences of the energies E(n, l, v) and E(n, l, s) on the vector potential parameter v and scalar potential one s are also studied for D = 3. All are found to decrease when these parameters are increased. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
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Wolfgang Scherer Andrew C. Dunbar Jos E. Barquera‐Lozada Dominik Schmitz Georg Eickerling Daniel Kratzert Dietmar Stalke Arianna Lanza Piero Macchi Nicola P. M. Casati Jihaan Ebad‐Allah Christine Kuntscher 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2015,127(8):2535-2539
Square‐planar d8‐ML4 complexes might display subtle but noticeable local Lewis acidic sites in axial direction in the valence shell of the metal atom. These sites of local charge depletion provide the electronic prerequisites to establish weakly attractive 3c–2e M⋅⋅⋅H C agostic interactions, in contrast to earlier assumptions. Furthermore, we show that the use of the sign of the 1H NMR shifts as major criterion to classify M⋅⋅⋅H C interactions as attractive (agostic) or repulsive (anagostic) can be dubious. We therefore suggest a new characterization method to probe the response of these M⋅⋅⋅H C interactions under pressure by combined high pressure IR and diffraction studies. 相似文献
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Summary A rapid and direct gas chromatographic (GC) method for determining free cholesterol in milk fat using a capillary column and programmed-temperature vaporizerinjector was assayed. It was compared with other procedures involving saponification of fat, solvent extraction of unsaponifiable matter—with and without fractionation by thin-layer chromatography—and transformation of sterols into silyl derivatives prior to GC analysis. This paper proposes an alternative to other published procedures. Repeatability of the method was assessed and the coefficient of variation determined as 2.1%. The alternative saponification method exhibited comparable accuracy (coefficient of variation=1.8%). Recovery ranged from 99.1% to 105.6%. 相似文献
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Prof. Dr. Wolfgang Scherer Dr. Andrew C. Dunbar Dr. José E. Barquera‐Lozada Dominik Schmitz Dr. Georg Eickerling Dr. Daniel Kratzert Prof. Dr. Dietmar Stalke Arianna Lanza Dr. Piero Macchi Dr. Nicola P. M. Casati Dr. Jihaan Ebad‐Allah Prof. Dr. Christine Kuntscher 《Angewandte Chemie (International ed. in English)》2015,54(8):2505-2509
Square‐planar d8‐ML4 complexes might display subtle but noticeable local Lewis acidic sites in axial direction in the valence shell of the metal atom. These sites of local charge depletion provide the electronic prerequisites to establish weakly attractive 3c–2e M???H? C agostic interactions, in contrast to earlier assumptions. Furthermore, we show that the use of the sign of the 1H NMR shifts as major criterion to classify M???H? C interactions as attractive (agostic) or repulsive (anagostic) can be dubious. We therefore suggest a new characterization method to probe the response of these M???H? C interactions under pressure by combined high pressure IR and diffraction studies. 相似文献
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Perla Cruz-Mondragón M. Concepción Lozada Benjamín Ortiz Raúl G. Enríquez Manuel Soriano-García 《Journal of chemical crystallography》2009,39(7):474-477
Abstract Grandiflorenic acid [(−)-kaura-9(11)-16-dien-19-oic acid] methyl ester (2), C21H30O2, was synthesized from grandiflorenic acid, isolated from the plant Montanoa tomentosa. Compound (2) was formerly described as an oily derivative. X-ray diffraction analysis of (2) demonstrated that it consists
of four rings, three six-membered rings (I, II and III) and one five-membered ring (IV). I, II and III rings occur in chair,
twist, and envelope conformations, respectively. Ring IV occurs in a conformation between envelope and half-chair. The crystal
of grandiflorenic acid methyl ester is in monoclinic crystal system with space group P21, lattice constants: a = 7.2170(10), b = 11.4170(10), c = 11.2850(10) ?, β = 98.700(10)°, V = 919.1(2) ?3 and Z = 2.
Index Abstract Grandiflorenic acid [(−)-kaura-9(11)-16-dien-19-oic acid] methyl ester (2) was synthesized. This compound was formerly considered as an oily derivative. The crystal structure of (2) was obtained by determination of X-ray diffraction from suitable single crystals.
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Prof. Dr. Wolfgang Scherer M. Sc. Petra Meixner Dipl.‐Phys. Kilian Batke Dr. José E. Barquera‐Lozada Prof. Dr. Klaus Ruhland M. Sc. Andreas Fischer Dr. Georg Eickerling Dr. Klaus Eichele 《Angewandte Chemie (International ed. in English)》2016,55(38):11673-11677
We will outline that the sign and magnitude of J(Si,H) coupling constants provide a highly sensitive tool to measure the extent of Si?H bond activation in nonclassical silane complexes. Up to now, this structure–property relationship was obscured by erroneous J(Si,H) sign determinations in the literature. These new findings also help to identify the salient control parameters of the Si?H bond activation process in nonclassical silane complexes. 相似文献
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