Zobrazeno 1 - 10
of 11
pro vyhledávání: '"D. J. Doren"'
Publikováno v:
Journal of Applied Physics. 95:1963-1968
N 1s core-level shifts from x-ray photoelectron spectra (XPS) are reported for the adsorption products of nitromethane (CH3NO2) on Si(100). Three spectral peaks are identified and these are associated with specific bonding environments for nitrogen b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::12b15d865ff593cfc55c08c219fad472
https://doi.org/10.1063/1.1639951
https://doi.org/10.1063/1.1639951
Autor:
D. J. Doren, Y. Nakajima
Publikováno v:
The Journal of Chemical Physics. 105:7753-7762
The properties of ammonia adsorbed at flat, step and kink sites on a MgO(100) surface have been investigated using density functional theory. A finite MgO cluster is used to represent the MgO(100) surface. Bonding is primarily determined by electrost
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https://explore.openaire.eu/search/publication?articleId=doi_________::fa5b5b15e495e85cb8dbde7dfff2d1ac
https://doi.org/10.1063/1.472558
https://doi.org/10.1063/1.472558
Autor:
D. J. Doren, K. D. Dobbs
Publikováno v:
The Journal of Chemical Physics. 97:3722-3735
The mechanics of molecular surface diffusion have been studied in a theoretical model of CO/Ni(111). Using molecular dynamics, diffusion rates have been calculated over a wide range of temperatures and interpreted using methods typically applied to e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::00123047efff68175b32c96179959335
https://doi.org/10.1063/1.462954
https://doi.org/10.1063/1.462954
Publikováno v:
MRS Proceedings. 448
Density functional calculations on cluster models of Si(100)-2xl have been used to predict reaction mechanisms and energetics for several reactive adsorption processes. Dissociative adsorption of H2, H20, BH3, and SiH4 will be described and compared
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f038e6ba505159a0c0c0c3c747343f9b
https://doi.org/10.1557/proc-448-45
https://doi.org/10.1557/proc-448-45
Autor:
J. S. Hess, D. J. Doren
Publikováno v:
The Journal of Chemical Physics. 113:9353-9354
This recent paper uses multiconfiguration self-consistent field (MCSCF) wave functions to study the structure of Si(001). The results are at odds with density functional theory predictions and experiment. This comment shows that dynamic correlation,
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https://explore.openaire.eu/search/publication?articleId=doi_________::e6c5f19e46a0f42465075374f85057d2
https://doi.org/10.1063/1.1320058
https://doi.org/10.1063/1.1320058
Autor:
D. R. Herschbach, D. J. Doren
Publikováno v:
The Journal of Physical Chemistry. 92:1816-1821
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e7e4d36dc9cd2abbe7a5bf21f3bf548
https://doi.org/10.1021/j100318a025
https://doi.org/10.1021/j100318a025
Publikováno v:
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films. 7:2227-2234
The mobility of CO chemisorbed on Pt(111) has been measured using a technique that synchronizes pulsed molecular‐beam dosing with fast scanning infrared interferometry. The method is based on the observation that molecules are generally more tightl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::02598a48592d53c984f0eb9f45f600a1
https://doi.org/10.1116/1.575963
https://doi.org/10.1116/1.575963
Autor:
D. J. Doren, D. R. Herschbach
Publikováno v:
The Journal of Chemical Physics. 87:433-442
If the Hamiltonian of a two‐electron atom is generalized in a natural way to arbitrary spatial dimension D, an especially simple case is found in the D=1 limit. While the ground state energy is singular at this point, a scaling argument reduces the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::940e2a08cae87a8f643e0e50a00fb7a4
https://doi.org/10.1063/1.453588
https://doi.org/10.1063/1.453588
Autor:
Dudley R. Herschbach, D. J. Doren
Publikováno v:
Physical Review A. 34:2654-2664
For quantum-mechanical problems defined at arbitrary values of the spatial dimension D, dramatic simplifications occur for special values of D. These provide the basis for new expansions which are quite accurate in cases where more traditional expans
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e4149637ab0cc78c0a8b1e3166d6911
https://doi.org/10.1103/physreva.34.2654
https://doi.org/10.1103/physreva.34.2654
Autor:
D. R. Herschbach, D. J. Doren
Publikováno v:
The Journal of Chemical Physics. 85:4557-4562
Recently developed approximation methods for quantum mechanical problems which treat the spatial dimension D as an expansion parameter offer approximations to energy levels at arbitrary D. Rather than simply being a detour to the D=3 case, there is p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2fa140f11c23c0aabe8af5a962c16a7c
https://doi.org/10.1063/1.451776
https://doi.org/10.1063/1.451776