Zobrazeno 1 - 10
of 11
pro vyhledávání: '"35"'
Autor:
Peter Gast, J. S. van den Brink, S. A. M. Nieuwenhuis, Jan Raap, Johan Lugtenburg, Arnold J. Hoff, R. J. Hulsebosch
Publikováno v:
Journal of the American Chemical Society. 119:8685-8694
Selective 2H-, 13C-, and 17O-isotope labeling of the tyrosine amino acid has been used to map the unpaired π-electron spin-density distribution of the UV-generated neutral l-tyrosine phenoxy radical in alkaline frozen solution. The use of 13C and 17
Publikováno v:
Journal of the American Chemical Society. 99:5901-5909
Autor:
Yehuda Zeiri, Barak Hirshberg, Ronnie Kosloff, Naomi Rom, David Furman, William A. Goddard, Faina Dubnikova, Sergey V. Zybin
Publikováno v:
Journal of the American Chemical Society. 136:4192-4200
Activation energy for the decomposition of explosives is a crucial parameter of performance. The dramatic suppression of activation energy in condensed phase decomposition of nitroaromatic explosives has been an unresolved issue for over a decade. We
Autor:
Shuxin Ouyang, Jinhua Ye
Publikováno v:
Journal of the American Chemical Society. 133:7757-7763
A series of β-AgAl(1-x)Ga(x)O(2) solid-solution materials were explored as novel visible-light-sensitive photocatalysts. These Ag-based solid solutions crystallize in a homogeneous crystal structure with orthorhombic symmetry but possess continuousl
Publikováno v:
Journal of the American Chemical Society, Vol. 132, No 35 (2010) pp. 12397-12403
Recent studies of organouranium chemistry have provided unusual pairs of similar polymetallic molecules containing (N)(3-) and (O)(2-) ligands, namely [(C(5)Me(5))U(mu-I)(2)](3)(mu(3)-N), 1, and [(C(5)Me(5))U(mu-I)(2)](3)(mu(3)-O), 2, and chair and b
Publikováno v:
Journal of the American Chemical Society. 124:2035-2041
The electronic structure of the blue-copper site of Pseudomonas aeruginosa azurin has been investigated by ab initio multireference determinantal configuration interaction (MRD-CI) calculations. A truncated site consisting of copper and its three equ
Autor:
E. C. Abresch, and Melvin Y. Okamura, George Feher, Rafael Calvo, Mark L. Paddock, Wolfgang Lubitz, Wulf Hofbauer, Robert Bittl, R.A. Isaacson
Publikováno v:
Journal of the American Chemical Society. 122:7327-7341
The photocycle of bacterial photosynthetic reaction centers (RCs) involves electron transfer between two quinone molecules, QA and QB. The semiquinone biradical QA-•QB-• forms an intermediate state in this process. We trapped the biradical at low
Publikováno v:
Journal of the American Chemical Society. 117:10104-10107
Ab initio molecular electronic structure theory has been used to determine the energy separation between the lowest {sup 3}B{sub 1} and {sup 1}A states of dimethylcarbene. The geometries of both states have been optimized at the self-consistent Field
Publikováno v:
Journal of the American Chemical Society. 117:2515-2519
Iron L-edge X-ray absorption and X-ray magnetic circular dichroism (XMCD) spectroscopy have been used to study the electronic structure of dinuclear iron-oxo complexes with different types of magnetic and electronic interactions between the iron site
Publikováno v:
Journal of the American Chemical Society. 112:5763-5772
The structures and optical spectroscopy of the CCl{sub 3} radical and cation were studied by ab initio molecular orbital calculations and by experiment. The structures of the X {sup 1}A{sub 1}{prime} (D{sub 3h}) state of the CCl{sub 3} cation and the