Ti atom in MFI zeolite framework: a large cluster model study by ONIOM method

Journal of Molecular Catalysis A Chemical ◽

10.1016/s1381-1169(02)00206-6 ◽

2003 ◽

Vol 191 (2) ◽

pp. 281-288 ◽

Author(s):

Takashi Atoguchi ◽

Shigeru Yao

Keyword(s):

Cluster Model ◽

Large Cluster ◽

Mfi Zeolite ◽

Zeolite Framework ◽

Model Study ◽

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Ab initio cluster model study of geometry and bonding character of atomic nitrogen chemisorbed on the Cu(100) and Ag(100) surfaces

Surface Science ◽

10.1016/s0039-6028(96)01245-9 ◽

1997 ◽

Vol 374 (1-3) ◽

pp. 31-43 ◽

Author(s):

J.M. Ricart ◽

J. Torras ◽

J. Rubio ◽

F. Illas

Keyword(s):

Ab Initio ◽

Cluster Model ◽

Atomic Nitrogen ◽

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Effect of partial fluorination on the Lewis sites of microcrystalline γ-alumina studied by adsorption of pyridine as a probe molecule: A quantum chemical cluster model study

Surface Science ◽

10.1016/j.susc.2011.05.023 ◽

2011 ◽

Vol 605 (15-16) ◽

pp. 1525-1536 ◽

Author(s):

Irena Nastova ◽

Tomaž Skapin ◽

Ljupčo Pejov

Keyword(s):

Quantum Chemical ◽

Cluster Model ◽

Probe Molecule ◽

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Electromigration in transition-metal hydrides: a finite-cluster-model study

Journal of Physics F Metal Physics ◽

10.1088/0305-4608/14/12/017 ◽

1984 ◽

Vol 14 (12) ◽

pp. 2955-2962 ◽

Author(s):

A Lodder ◽

M G E Brand

Keyword(s):

Transition Metal ◽

Cluster Model ◽

Metal Hydrides ◽

Transition Metal Hydrides ◽

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Mechanisms for NH3Decomposition on the Si(111)-7 × 7 Surface: A DFT Cluster Model Study

The Journal of Physical Chemistry C ◽

10.1021/jp075193s ◽

2007 ◽

Vol 111 (45) ◽

pp. 16974-16981 ◽

Author(s):

Xinlan Wang ◽

Xin Xu

Keyword(s):

Cluster Model ◽

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Molecular orbital cluster model study of bonding and vibrations of CO adsorbed on MgO surface

International Journal of Quantum Chemistry ◽

10.1002/qua.560420504 ◽

1992 ◽

Vol 42 (5) ◽

pp. 1115-1139 ◽

Author(s):

Gianfranco Pacchioni ◽

Giuseppe Cogliandro ◽

Paul S. Bagus

Keyword(s):

Molecular Orbital ◽

Cluster Model ◽

Model Study ◽

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A cluster model study of multiple H adsorption on Be(0001)

Surface Science ◽

10.1016/0039-6028(91)90045-t ◽

1991 ◽

Vol 245 (3) ◽

pp. 439-451 ◽

Author(s):

Ian P Dillon ◽

John D Head

Keyword(s):

Cluster Model ◽

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Adsorption of Ethylene, Vinyl, Acetic Acid, and Acetate Species on PdAu(111) and PdAu(100) Surface Alloys: A Cluster Model Study

Journal of Chemical Theory and Computation ◽

10.1021/ct9000137 ◽

2009 ◽

Vol 5 (5) ◽

pp. 1350-1360 ◽

Author(s):

Ivan Rivalta ◽

Gloria Mazzone ◽

Nino Russo ◽

Emilia Sicilia

Keyword(s):

Acetic Acid ◽

Cluster Model ◽

Surface Alloys ◽

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Cluster model study of lightp-shell Λ-hypernuclei with OBE-based effective ΛN interaction

Zeitschrift für Physik A Atomic Nuclei ◽

10.1007/bf01295250 ◽

1987 ◽

Vol 327 (1) ◽

pp. 59-69 ◽

Author(s):

Wang Xi-cang ◽

H. Bandō ◽

H. Takaki

Keyword(s):

Cluster Model ◽

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Mechanisms for pyrrole adsorption on the Si(111)7×7 surface: A DFT cluster model study

Chemical Physics ◽

10.1016/j.chemphys.2009.02.010 ◽

2009 ◽

Vol 359 (1-3) ◽

pp. 21-26 ◽

Author(s):

Xinyu Peng ◽

Xueye Wang ◽

Liming Liu ◽

Yanling Wang ◽

Yuanqiang Tan

Keyword(s):

Cluster Model ◽

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Cluster model study on GaAs epitaxial crystal growth by an arsenic molecular beam III. As4 molecular beam

Surface Science ◽

10.1016/0039-6028(94)91137-1 ◽

1994 ◽

Vol 316 (1-2) ◽

pp. 168-180 ◽

Author(s):

Yoshifumi Fukunishi ◽

Hiroshi Nakatsuji

Keyword(s):

Crystal Growth ◽

Cluster Model ◽

Molecular Beam ◽

Model Study ◽

Epitaxial Crystal Growth

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