On the Need for Spin Polarization in Heterogeneously Catalyzed Reactions on Nonmagnetic Metallic Surfaces-Reference-Cited by-同舟云学术

On the Need for Spin Polarization in Heterogeneously Catalyzed Reactions on Nonmagnetic Metallic Surfaces

Published:2012-04-09 Issue:5 Volume:8 Page:1737-1743
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fajín José L. C.¹,D. S. Cordeiro M. Natália¹,Gomes José R. B.²,Illas Francesc³

Affiliation:

1. REQUIMTE, Faculdade de Ciências, Universidade do Porto, P-4169-007, Porto, Portugal

2. CICECO, Departamento de Química, Universidade de Aveiro, 3810-193 Aveiro, Portugal

3. Department de Química Física & Institut de Química Teòrica i Computacional (IQTCUB), University of Barcelona, C/Martí i Franquès 1, 08028 Barcelona, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct3001415

Reference74 articles.

1. Bonding Power of Electrons and Theory of Valence.

2. ibid. 1947, 41, 201.

3. ibid. 1947, 41, 207.

4. Quelques aspects de la théorie des orbitales moléculaires

5. New Developments in Molecular Orbital Theory

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