Theoretical Study of Neutral and Charged Fe7-(C6H6)m, m = 1, 2 Rice-Ball Clusters

Miguel Castro; Pilar Mareca

doi:10.1021/jp504561j

journal article Jul 11, 2014

Theoretical Study of Neutral and Charged Fe7-(C6H6)m, m = 1, 2 Rice-Ball Clusters

Miguel Castro Pilar Mareca

The Journal of Physical Chemistry A Vol. 118 No. 29 pp. 5548-5558 · American Chemical Society (ACS)

View at Publisher Save 10.1021/jp504561j

Topics

No keywords indexed for this article. Browse by subject →

References

41

[1]

Kurikawa T. Organometallics (1999) 10.1021/om9807349

[2]

Nakajima A. J. Phys. Chem. A (2000) 10.1021/jp9927303

[3]

Duncan M. A. Int. J. Mass Spectrom. (2008) 10.1016/j.ijms.2008.01.010

[4]

Willey K. F. J. Phys. Chem. (1992) 10.1021/j100202a007

[5]

Meyer F. J. Am. Chem. Soc. (1995) 10.1021/ja00143a018

[6]

Zheng W. Chem. Phys. Lett. (2008) 10.1016/j.cplett.2008.07.052

[7]

Rabilloud F. J. Chem. Phys. (2005) 10.1063/1.1867434

[8]

Bauschlicher C. W. J. Phys. Chem. (1992) 10.1021/j100187a018

[9]

Density-functional exchange-energy approximation with correct asymptotic behavior

A. D. Becke

Physical Review A 1988 10.1103/physreva.38.3098

[10]

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang

Physical Review B 1992 10.1103/physrevb.45.13244

[11]

Raghavachari K. J. Chem. Phys. (1989) 10.1063/1.457230

[12]

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

W. J. Hehre, R. Ditchfield, J. A. Pople

The Journal of Chemical Physics 1972 10.1063/1.1677527

[13]

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Michael J. Frisch, John A. Pople, J. Stephen Binkley

The Journal of Chemical Physics 1984 10.1063/1.447079

[14]

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

R. Krishnan, J. S. Binkley, R. Seeger et al.

The Journal of Chemical Physics 1980 10.1063/1.438955

[15]

Curtiss L. A. J. Chem. Phys. (1995) 10.1063/1.470438

[16]

Gutsev G. L. J. Phys. Chem. A (2003) 10.1021/jp030288p

[17]

Gutsev G. L. J. Phys. Chem. A (2012) 10.1021/jp307284v

[18]

Valencia I. Phys. Chem. Chem. Phys. (2010) 10.1039/b922847k

[19]

Valencia I. J. Phys. Chem. A (2010) 10.1021/jp1086174

[20]

Valencia I. Chem. Phys. (2011) 10.1016/j.chemphys.2011.10.004

[21]

Valencia I. J. Phys. Chem. A (2009) 10.1021/jp811065w

[22]

Valencia I. J. Phys. Chem. A (2010) 10.1021/jp906131g

[23]

Valencia I. J. Phys. Chem. A (2008) 10.1021/jp712184w

[24]

Frisch M. J (2009)

[25]

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme

Journal of Computational Chemistry 2006 10.1002/jcc.20495

[26]

Grimme S. WIREs: Comput. Mol. Sci. (2011)

[27]

Castro M. J. Phys. Chem. A (2013) 10.1021/jp406581m

[28]

Reed A. E. Chem. Rev. (1988) 10.1021/cr00088a005

[29]

Yang S. J. Chem. Phys. (1990) 10.1063/1.459131

[30]

Parks E. K. J. Chem. Phys. (1990) 10.1063/1.457839

[31]

Wang L.-S. Chem. Phys. (2000) 10.1016/s0301-0104(00)00351-7

[32]

Wang L. S. J. Chem. Phys. (1995) 10.1063/1.468817

[33]

Castro M. Int. J. Quantum Chem. (1997) 10.1002/(sici)1097-461x(1997)64:2<223::aid-qua9>3.0.co;2-y

[34]

Cramer C. J. Chem. Phys. Lett. (1995) 10.1016/0009-2614(95)01008-w

[35]

Görling A. (1999)

[36]

Pandey R. J. Am. Chem. Soc. (2001) 10.1021/ja0035452

[37]

Bobadova-Parvanova P. J. Chem. Phys. (2002) 10.1063/1.1445113

[38]

Armentrout P. B. Annu. Rev. Phys. Chem. (2001) 10.1146/annurev.physchem.52.1.423

[39]

Moore C. E. (1971)

[40]

Rohlfing E. A. J. Chem. Phys. (1984) 10.1063/1.448168

[41]

Pandey R. Chem. Phys. Lett. (2000) 10.1016/s0009-2614(00)00287-6

Cited By

10

Size-Dependent Ligand Quenching of Ferromagnetism in Co3(benzene) n + Clusters Studied with X-ray Magnetic Circular Dichroism Spectroscopy

Scott T. Akin, Vicente Zamudio-Bayer · 2016

The Journal of Physical Chemistry L...

Metrics

10

Citations

41

References

Details

Published: Jul 11, 2014
Vol/Issue: 118(29)
Pages: 5548-5558

Authors

M

Miguel Castro

Departamento de Física y Química Teórica, DEPg. Facultad de Química, Universidad Nacional Autónoma de México, Av Universidad 3000, México D. F., C. P. 04510, México

P

Pilar Mareca

Dpto. de Física Aplicada ETSI de Telecomunicación (UPM), Ciudad Universitaria, 28040 Madrid, España

Funding

National Autonomous University of Mexico

Cite This Article

Miguel Castro, Pilar Mareca (2014). Theoretical Study of Neutral and Charged Fe7-(C6H6)m, m = 1, 2 Rice-Ball Clusters. The Journal of Physical Chemistry A, 118(29), 5548-5558. https://doi.org/10.1021/jp504561j

Theoretical Study of Neutral and Charged Fe7-(C6H6)m, m = 1, 2 Rice-Ball Clusters

You May Also Like