Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Conrad A. Naleway"'
Publikováno v:
The Journal of Physical Chemistry. 97:4050-4058
The long-range electronic coupling in model chain alkyls H 2 C(CH 2 ) n-2 CH 2 , n=3-16, and 1,4-dimethyl-enecyclohexane has been investigated using ab initio molecular orbital theory to assess dependence of the results on basis set and method of cal
Publikováno v:
The Journal of Physical Chemistry. 95:8434-8437
Long-distance electronic couplings for electron-transfer reactions are calculated in a method which makes use of McConnell's superexchange model. The necessary matrix elements come from ab initio molecular orbital calculations by transforming the UHF
Publikováno v:
The Journal of Physical Chemistry. 95:730-740
The fluorescence from electron beam pulse irradiated solutions of scintillators in n-hexane and cyclohexane has been measured. The experimental fluorescence vs time is compared to calculations utilizing a stochastic Monte Carlo model, in which three
Publikováno v:
ACS Symposium Series ISBN: 9780841237179
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d328f6dbeb5bb9dc232c1ab52fef74ae
https://doi.org/10.1021/bk-2001-0789.ch001
https://doi.org/10.1021/bk-2001-0789.ch001
Autor:
J. WOODS HALLEY, Peter Zapol, Conrad A. Naleway, Peter W. Deutsch, Larry A. Curtiss, Sean Walbran, J. W. Halley, YuYe Tong, Cynthia Rice, Eric Oldfield, Andrzej Wieckowski, W. Schmickler, R. I. Eglitis, S. V. Izvekov, M. R. Philpott, B. B. Smith, Mary P. Ryan, Michael F. Toney, Lucy J. Oblonsky, Alison J. Davenport, N. H. de Leeuw, S. E. Redfern, D. J. Cooke, D. J. Osguthorpe, S. C. Parker, James R. Rustad, Andrew R. Felmy, Thanh N. Truong, Michael A. Johnson, Eugene V. Stefanovich, P. K. Schelling, Yanhua Zhou, Tahir Cagin, Elaine S. Yamaguchi, Andrew Ho, Rawls Frazier, Yongchun Tang, William A. Goddard, M. Voué, S. Semal, C. Bauthier, J. J. Vanden Eynde, J. De Coninck
Autor:
Conrad A. Naleway, Maurice E. Schwartz
Publikováno v:
Journal of the American Chemical Society. 95:8235-8241
Publikováno v:
The Journal of Physical Chemistry. 90:6154-6158
Experimental data are available which suggest that the fast production of electronic excited states in electron-irradiated helium- (or neon-) nitrogen mixtures is due to the interactions of subexcitation electrons. These systems - helium or neon with
Autor:
Maurice E. Schwartz, Conrad A. Naleway
Publikováno v:
Theoretica Chimica Acta. 30:347-352
The question of whether or not fluorine substitution produces charge alternation is examined for CH4 and CH3F. Two sets of ab initio LCAO SCF MO wavefunctions (one a 3 G STO based one, the other a double zeta based one) are analyzed via charge densit
Autor:
Maurice E. Schwartz, Conrad A. Naleway
Publikováno v:
The Journal of Physical Chemistry. 76:3905-3908
Publikováno v:
The Journal of Physical Chemistry. 82:2246-2248
The fast (<