@article {2684, title = {Development of an Oxazole Conjunctive Reagent and Application to the Total Synthesis of Siphonazoles}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {23}, year = {2009}, note = {ISI Document Delivery No.: 523ONTimes Cited: 6Cited Reference Count: 120Zhang, Jianmin Polishchuk, Elena A. Chen, Jie Ciufolini, Marco A.}, month = {Dec}, pages = {9140-9151}, type = {Review}, abstract = {The preparation of 4-carbethoxy-5-methyl-2-(phenylsulfonyl)methyloxizole and Its use in the elaboration of more complex oxazoles are described. A total synthesis of the unique natural products siphonazoles A and B, illustrates an application of this building block. A discussion of the biological activity of the siphonazoles is also presented.}, keywords = {1ST TOTAL-SYNTHESIS, ALLENYL ESTERS, CONJUGATED, CYANOBACTERIUM NOSTOC-MUSCORUM, CYTOTOXIC, DIAZONAMIDE-A, DOUBLE ELIMINATION PROTOCOL, GLYOXYLIC-ACID DERIVATIVES, INTRAMOLECULAR HYDROAMINATION, marine sponge, METABOLITES, NATURAL-PRODUCT HENNOXAZOLE}, isbn = {0022-3263}, url = {://000272083700026}, author = {Zhang, J. M. and Polishchuk, E. A. and Chen, J. and Ciufolini,Marco A.} } @article {2220, title = {Nonlinear optical properties of Schiff-Base-containing conductive polymer films electro-deposited in microgravity}, journal = {Advanced Materials}, volume = {20}, number = {12}, year = {2008}, note = {ISI Document Delivery No.: 320XMTimes Cited: 5Cited Reference Count: 41Pietrangelo, Agostino Sih, Bryan C. Boden, Britta N. Wang, Zhenwei Li, Qifeng Chou, Keng C. MacLachlan, Mark J. Wolf, Michael O.}, month = {Jun}, pages = {2280-+}, type = {Article}, abstract = {Organic-inorganic hybrid films prepared from copper(II)-containing Schiff base complexes bearing long alkoxy chains grown under microgravity conditions show enhanced third-order NLO susceptibilities relative to films grown at 1 g.}, keywords = {2ND-ORDER, BOND-LENGTH ALTERNATION, CHAIN, CONJUGATED, COPPER(II), ENVIRONMENT, GENERATION, GRAVITY, HYBRID, PHTHALOCYANINE THIN-FILMS, POLYMERS}, isbn = {0935-9648}, url = {://000257268500006}, author = {Pietrangelo, A. and Sih, B. C. and Boden, B. N. and Wang, Z. W. and Li, Q. F. and Chou, K. C. and MacLachlan, M. J. and Wolf,Michael O.} } @article {750, title = {DFT calculation of core-electron binding energies}, journal = {Journal of Electron Spectroscopy and Related Phenomena}, volume = {133}, number = {1-3}, year = {2003}, note = {ISI Document Delivery No.: 754ZWTimes Cited: 40Cited Reference Count: 70}, month = {Nov}, pages = {69-76}, type = {Article}, abstract = {A total of 59 core-electron binding energies (CEBEs) were studied with the Amsterdam Density Functional Program (ADF) program and compared with the observed values. The results indicate that a polarized triple-zeta basis set of Slater-type orbitals is adequate for routine assessment of the performance of each method of computation. With such a basis set, seven density functionals were tested. In addition, the performance of 21 energy density functionals were computed from the density calculated with the statistical average of orbital potentials (SAOP). Among all the choices tested, the best density functional for core-electron binding energies of C to F turns out to be the combination of Perdew-Wang (1986) functional for exchange and the Perdew-Wang (1991) functional for correlation, confirming earlier studies based on contracted Gaussian-type orbitals. For this best functional, five Slater-type orbital basis sets were examined, ranging from polarized double-zeta quality to the largest set available in the ADF package. For the best functional with the best basis set, the average absolute deviation (AAD) of the calculated value from experiment is only 0.16 eV (C) 2003 Elsevier B.V. All rights reserved.}, keywords = {ADF, BASIS-SETS, CEBE, CHEMICAL-SHIFTS, CONJUGATED, core-electron binding energy, CORRECT ASYMPTOTIC-BEHAVIOR, DENSITY-FUNCTIONAL CALCULATION, DFF, ESCA, EXCHANGE-ENERGY, GENERALIZED GRADIENT APPROXIMATION, MOLECULAR CALCULATIONS, MOLECULES, PHOTOELECTRON-SPECTROSCOPY, X-RAY-EMISSION, XPS}, isbn = {0368-2048}, url = {://000187364200010}, author = {Takahata, Y. and Chong, D. P.} }