EMBEDDED CLUSTER MODELS OF ELECTRONIC STRUCTURE OF OXIDE SURFACES

The microscopic interpretation of the electronic structure and absorption spectra of BA in aqueous media through calculations restricted to small cluster models.

Download Full-text

Density functional studies of the electronic structure and adsorption at molybdenum oxide surfaces

Catalysis Today ◽

10.1016/s0920-5861(98)00491-x ◽

1999 ◽

Vol 50 (3-4) ◽

pp. 567-577 ◽

Cited By ~ 24

Author(s):

K. Hermann ◽

M. Witko ◽

A. Michalak

Keyword(s):

Electronic Structure ◽

Molybdenum Oxide ◽

Density Functional ◽

Oxide Surfaces ◽

Functional Studies

Download Full-text

Local electronic structure of amorphous metal alloys using cluster models. Evidence for specific metalloid-metal interactions

Physical Review B ◽

10.1103/physrevb.23.1616 ◽

1981 ◽

Vol 23 (4) ◽

pp. 1616-1623 ◽

Cited By ~ 93

Author(s):

R. P. Messmer

Keyword(s):

Electronic Structure ◽

Amorphous Metal ◽

Metal Alloys ◽

Cluster Models ◽

Amorphous Metal Alloys ◽

Metal Interactions ◽

Local Electronic Structure

Download Full-text

An ab initio electronic structure study of methyl adsorption and reaction on cluster models for the diamond surface

Diamond and Related Materials ◽

10.1016/s0925-9635(00)00370-8 ◽

2001 ◽

Vol 10 (1) ◽

pp. 39-47 ◽

Cited By ~ 2

Author(s):

Ronald C. Brown ◽

Christopher J. Cramer ◽

Jeffrey T. Roberts

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Structure Study ◽

Cluster Models ◽

Diamond Surface ◽

Ab Initio Electronic Structure

Download Full-text

ChemInform Abstract: Probing the Electronic Structure of Early Transition Metal Oxide Clusters: Molecular Models Towards Mechanistic Insights into Oxide Surfaces and Catalysis

ChemInform ◽

10.1002/chin.201111226 ◽

2011 ◽

Vol 42 (11) ◽

pp. no-no

Author(s):

Hua-Jin Zhai ◽

Lai-Sheng Wang

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Oxide ◽

Transition Metal Oxide ◽

Oxide Surfaces ◽

Molecular Models ◽

Early Transition Metal ◽

Metal Oxide Clusters ◽

Transition Metal Oxide Clusters ◽

Early Transition

Download Full-text

Morphology and local electronic structure of metal particles on metal oxide surfaces: a scanning tunneling microscopic and scanning tunneling spectroscopic study

Chemical Physics Letters ◽

10.1016/s0009-2614(96)01164-5 ◽

1996 ◽

Vol 263 (1-2) ◽

pp. 13-18 ◽

Cited By ~ 34

Author(s):

Chen Xu ◽

D.W. Goodman

Keyword(s):

Electronic Structure ◽

Metal Oxide ◽

Spectroscopic Study ◽

Metal Particles ◽

Scanning Tunneling ◽

Oxide Surfaces ◽

Metal Oxide Surfaces ◽

Structure Of Metal ◽

Local Electronic Structure

Download Full-text

Absorption Spectra and the Electronic Structure of Gallic Acid in Water at Different pH: Experimental Data and Theoretical Cluster Models

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c07333 ◽

2022 ◽

Author(s):

Natalia V. Karimova ◽

Man Luo ◽

Izaac Sit ◽

Vicki H. Grassian ◽

R. Benny Gerber

Keyword(s):

Experimental Data ◽

Electronic Structure ◽

Gallic Acid ◽

Absorption Spectra ◽

Cluster Models

Download Full-text