Basis-Modified hydrogen atoms as embedding atoms inab initio chemisorption cluster model calculations on Si surfaces-Reference-Cited by-同舟云学术

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Basis-Modified hydrogen atoms as embedding atoms inab initio chemisorption cluster model calculations on Si surfaces

Published:1993-12 Issue:12 Volume:14 Page:1534-1544
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Illas F.,Roset L.,Ricart J.M.,Rubio J.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference38 articles.

1. and In Studies in Physical and Theoretical Chemistry, vol. 62, Ed., Elsevier, Amsterdam, 1989, p. 475.

2. Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalysts

3. In The Nature of the Surface Chemical Bond, and Eds., North-Holland, Amsterdam, 1979, p. 51.

4. X‐ray photoelectron spectroscopy of oxygen adsorbates on Al(111): Theory experiment

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3. Surface Chemical Bond;Encyclopedia of Computational Chemistry;2002-04-15

4. Density Functional Theory Study of Atomic Nitrogen on the Si(100)−(2 × 1) Surface;The Journal of Physical Chemistry B;2002-02-07

5. Elementary Steps of Catalytic Processes on Metallic and Bimetallic Surfaces;Theoretical Aspects of Heterogeneous Catalysis;2001

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