Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Peter W. Deutsch"'
Publikováno v:
Proceedings of the 27th ACM International Conference on Architectural Support for Programming Languages and Operating Systems.
Publikováno v:
The Journal of Chemical Physics. 96:6868-6872
The Gaussian‐2 (G2) theoretical procedure, based on ab initio molecular orbital theory, is used to calculate the energies of Sin and Si−n (n=1–5) clusters. The G2 energies are used to derive accurate binding energies and electron affinities of
Publikováno v:
The Journal of Chemical Physics. 95:2433-2444
The Gaussian‐2 (G2) theoretical procedure, based on ab initio molecular‐orbital theory, is used to calculate the energies of Si2Hn (n=0–6) and Si2H+n (n=0–7). The resulting G2 energies are used to calculate appearance potentials and ionizatio
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
Publikováno v:
The Journal of Chemical Physics. 78:5103-5107
The revised central force potentials of Stillinger and Rahman [J. Chem. Phys. 68, 666 (1978)] are used to study the binding energy, structure, and multipole moments of a periodic ice Ih sample with a unit cell of 192 water molecules. The initial conf
Autor:
Tom D. Stanik, Peter W. Deutsch
Publikováno v:
The Journal of Chemical Physics. 85:4660-4666
In this study we simulate the temperature dependence of powder x‐ray diffraction for ice Ih using a model ice sample and Metropolis Monte Carlo simulations. We permit the water molecules to interact through the revised central force potentials of S
Publikováno v:
The Journal of Physical Chemistry. 87:4309-4311
Publikováno v:
Journal of Chemical Physics; 5/1/1992, Vol. 96 Issue 9, p6868, 5p
Publikováno v:
Journal of Chemical Physics; 8/15/1991, Vol. 95 Issue 4, p2433, 12p