Ab initio CI calculation of K shell absorption spectra in transition metal compounds

Chemical Physics ◽

10.1016/0301-0104(93)80051-a ◽

1993 ◽

Vol 174 (1) ◽

pp. 57-70 ◽

Author(s):

G. Fronzoni ◽

P. Decleva ◽

A. Lisini

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Absorption Spectra ◽

Transition Metal Compounds ◽

Metal Compounds ◽

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Assignment of pre-edge peaks in K-edge x-ray absorption spectra of 3d transition metal compounds: electric dipole or quadrupole?

X-Ray Spectrometry ◽

10.1002/xrs.1103 ◽

2008 ◽

Vol 37 (6) ◽

pp. 572-584 ◽

Author(s):

Takashi Yamamoto

Keyword(s):

Transition Metal ◽

Absorption Spectra ◽

Electric Dipole ◽

Transition Metal Compounds ◽

Metal Compounds ◽

X Ray ◽

X Ray Absorption

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Correlation between the magnetic properties and the chemical shifts in x-ray absorption spectra of some transition metal compounds

Bulletin of Materials Science ◽

10.1007/bf02908494 ◽

1981 ◽

Vol 3 (2) ◽

pp. 193-199 ◽

Author(s):

Chintamani Mande ◽

M Y Apte

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

Absorption Spectra ◽

Chemical Shifts ◽

Transition Metal Compounds ◽

Metal Compounds ◽

X Ray ◽

X Ray Absorption

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Molecular orbital description of core excitation spectra in transition metal compounds. An ab initio CI calcultaion on TiCl4 and isoelectronic molecules

Chemical Physics ◽

10.1016/0301-0104(94)00135-9 ◽

1994 ◽

Vol 186 (1) ◽

pp. 1-16 ◽

Author(s):

P. Decleva ◽

G. Fronzoni ◽

A. Lisini ◽

M. Stener

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Molecular Orbital ◽

Transition Metal Compounds ◽

Excitation Spectra ◽

Core Excitation ◽

Metal Compounds ◽

Isoelectronic Molecules

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On the ab-initio calculation ofd-d spectra in transition metal compounds: The importance of relaxed charge transfer states

International Journal of Quantum Chemistry ◽

10.1002/qua.560340869 ◽

1988 ◽

Vol 34 (S22) ◽

pp. 679-696 ◽

Author(s):

G. J. M. Janssen ◽

W. C. Nieuwpoort

Keyword(s):

Charge Transfer ◽

Transition Metal ◽

Ab Initio ◽

Ab Initio Calculation ◽

Transition Metal Compounds ◽

Metal Compounds

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A simple technique for the measurement of high resolution electronic absorption spectra of powdered transition metal compounds from 3-300K

Journal of Physics E Scientific Instruments ◽

10.1088/0022-3735/9/9/005 ◽

1976 ◽

Vol 9 (9) ◽

pp. 727-728

Author(s):

C D Flint ◽

A P Matthews

Keyword(s):

High Resolution ◽

Transition Metal ◽

Absorption Spectra ◽

Electronic Absorption ◽

Simple Technique ◽

Electronic Absorption Spectra ◽

Transition Metal Compounds ◽

Metal Compounds

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Relation between effective atomic charge and chemical shifts in X-ray absorption spectra of transition-metal compounds

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/12/12/029 ◽

1979 ◽

Vol 12 (12) ◽

pp. 2439-2445 ◽

Author(s):

P R Sarode ◽

S Ramasesha ◽

W H Madhusudan ◽

C N R Rao

Keyword(s):

Transition Metal ◽

Absorption Spectra ◽

Chemical Shifts ◽

Atomic Charge ◽

Transition Metal Compounds ◽

Metal Compounds ◽

X Ray ◽

Effective Atomic Charge ◽

X Ray Absorption

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X-Ray K Valence Emission and K Absorption Spectra of Transition-Metal Compounds

Japanese Journal of Applied Physics ◽

10.7567/jjaps.17s2.157 ◽

1978 ◽

Vol 17 (S2) ◽

pp. 157 ◽

Author(s):

Kouichi Ichikawa ◽

Osamu Aita ◽

Hiroo Nakamori ◽

Masao Kamada ◽

Kenjiro Tsutsumi

Keyword(s):

Transition Metal ◽

Absorption Spectra ◽

Transition Metal Compounds ◽

Metal Compounds ◽

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Ab initio molecular orbital studies of chemical shielding in transition-metal compounds: molybdenum-95 shielding in molybdate and thiomolybdate [MoOnS(4-n)]2- anions

Journal of the American Chemical Society ◽

10.1021/ja00201a056 ◽

1989 ◽

Vol 111 (19) ◽

pp. 7619-7621 ◽

Author(s):

J. E. Combariza ◽

J. H. Enemark ◽

Michael Barfield ◽

J. C. Facelli

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Molecular Orbital ◽

Transition Metal Compounds ◽

Chemical Shielding ◽

Metal Compounds

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ON THE MECHANISM OF 3 d-TRANSITIONS IN K-ABSORPTION SPECTRA OF TRANSITION-METAL COMPOUNDS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1971431 ◽

1971 ◽

Vol 32 (C4) ◽

pp. C4-169-C4-171 ◽

Author(s):

O. BRÜMMER ◽

G. DRÄGER ◽

W. STARKE

Keyword(s):

Transition Metal ◽

Absorption Spectra ◽

Transition Metal Compounds ◽

Metal Compounds

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Ab initio orbital studies of molybdenum-95, oxygen-17, and sulfur-33 chemical shielding in transition-metal compounds

The Journal of Physical Chemistry ◽

10.1021/j100167a022 ◽

1991 ◽

Vol 95 (14) ◽

pp. 5463-5470 ◽

Author(s):

J. E. Combariza ◽

M. Barfield ◽

J. H. Enemark

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Transition Metal Compounds ◽

Chemical Shielding ◽

Metal Compounds

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