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David A. Copeland 《Theoretical chemistry accounts》1972,27(4):367-372
The approximate 4s and 3d radial wavefunctions of Richardsonet al. [J, chem. Physics 36, 1057 (1962)] for first-row transition-metal atoms and ions have been extended to additional electronic configurations. The results suggest several improvements in the 4s wavefunction parameters. Formulas are reported for extending the double- 3d wavefunctions over the range of atomic orbitalsd
1 throughd
10. The results are intended for use in calculations of chemical bonding. 相似文献
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B. Jack Copeland 《Algebra and Logic》1996,34(6):406-406
Sessions of the seminar algebra i logika 相似文献
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Starting from the most general scalar-tensor theory with second-order field equations in four dimensions, we establish the unique action that will allow for the existence of a consistent self-tuning mechanism on Friedmann-Lema?tre-Robertson-Walker backgrounds, and show how it can be understood as a combination of just four base Lagrangians with an intriguing geometric structure dependent on the Ricci scalar, the Einstein tensor, the double dual of the Riemann tensor, and the Gauss-Bonnet combination. Spacetime curvature can be screened from the net cosmological constant at any given moment because we allow the scalar field to break Poincaré invariance on the self-tuning vacua, thereby evading the Weinberg no-go theorem. We show how the four arbitrary functions of the scalar field combine in an elegant way opening up the possibility of obtaining nontrivial cosmological solutions. 相似文献
8.
We study the dynamics of Nambu-Goto strings with junctions at which three strings meet. In particular, we exhibit one simple exact solution and examine the process of intercommuting of two straight strings in which they exchange partners but become joined by a third string. We show that there are important kinematical constraints on this process. The exchange cannot occur if the strings meet with very large relative velocity. This may have important implications for the evolution of cosmic superstring networks and non-Abelian string networks. 相似文献
9.
Ibtissam Elaaraj Safae ER. Raouan Asmae Nakkabi Bouchra Es-sounni Ibnsouda Koraichi Noureddine El moualij Mohammed Fahim 《印度化学会志》2022,99(5):100404
New metal complexes of (Zn(II), Co(II), Ni(II) and Cu(II)) based on the ligand 2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzo[d]imidazole] were synthesized, whose structures were determined with the different spectroscopic techniques 1H NMR,13C NMR, FT-IR, UV–Visible and by mass spectrometry. The thermal analysis was performed by TG-DTA. The antioxidant activity of the ligand and its complexes was evaluated by DPPH (2,2-diphenyl-1-picrylhydrazyl) method, in comparison with the synthetic antioxidant, ascorbic acid. The results obtained showed that the antioxidant activity of the ligand and its complexes is moderate and that the copper complex has a high activity that exceeds that of ascorbic acid. Antimicrobial activity of the ligand and its metal complexes was studied against two Gram-positive bacteria: Bacillus subtilis ILP1428B, Staphylococcus aureus CIP543154 and two Gram-negative bacteria: Pseudomonas aeruginosa ATCC27653, Escherichia coli CIP5412 (American Type Culture Collection)the activity data show that the metal complexes are more potent than the free ligand. 相似文献
10.
Laurence E. Strong Thomas G. Copeland Margaret Darragh Carter Van Waes 《Journal of solution chemistry》1980,9(2):109-128
Conductivities of aqueous solutions ofortho-, meta-, andpara-toluic acids have been measured for the concentration range 0.1–2 millimolar and at 5° intervals from 5 to 100°C. At each temperature pK
a(m) andA
0 have been calculated using the paired ion model recently described by Fuoss. Thermodynamic parameters have been calculated for the ionization of each acid, and Walden products for the anions. Results are discussed in terms of contributions to acidity by enthalpy and entropy changes as well as by hydration of the various solute species. 相似文献