Electronic structure of the transition-metal-carbene-like complexes (CO)5Mo-M'H2 (M' = carbon, silicon, germanium and tin). A theoretical study based on ab initio CASSCF calculations

Antonio Marquez; Javier Fernandez Sanz

doi:10.1021/ja00034a022

Electronic structure of the transition-metal-carbene-like complexes (CO)5Mo-M'H2 (M' = carbon, silicon, germanium and tin). A theoretical study based on ab initio CASSCF calculations

Journal of the American Chemical Society ◽

10.1021/ja00034a022 ◽

1992 ◽

Vol 114 (8) ◽

pp. 2903-2909 ◽

Cited By ~ 24

Author(s):

Antonio Marquez ◽

Javier Fernandez Sanz

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Ab Initio ◽

Silicon Germanium ◽

Theoretical Study

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Ab initio CASSCF study of the electronic structure of the transition-metal alkylidene-like complexes Mo-M'H2 (M' = carbon, silicon, germanium and tin)

Journal of the American Chemical Society ◽

10.1021/ja00051a039 ◽

1992 ◽

Vol 114 (25) ◽

pp. 10019-10024 ◽

Cited By ~ 11

Author(s):

Antonio Marquez ◽

Javier Fernandez Sanz

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Ab Initio ◽

Silicon Germanium

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Electronic structure of transition-metal tetracoordinated complexes. 4. Theoretical ab initio and UV-photoelectron spectroscopy study of nickel(II) and palladium(II) complexes of N,N′-1,3-propaneaminebis(1H-pyrrol-2-ylmethylene) Schiff base

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)85980-0 ◽

1990 ◽

Vol 177 (2) ◽

pp. 225-231 ◽

Cited By ~ 2

Author(s):

Enrico Ciliberto ◽

Santo Di Bella ◽

Antonino Gulino ◽

Ignazio L. Fragalà

Keyword(s):

Electronic Structure ◽

Schiff Base ◽

Transition Metal ◽

Ab Initio ◽

Photoelectron Spectroscopy ◽

Spectroscopy Study ◽

Uv Photoelectron Spectroscopy

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A theoretical study of the electronic structure of transition-metal complexes

10.31274/rtd-180813-16278 ◽

1956 ◽

Author(s):

James Wyman Richardson

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Theoretical Study

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A THEORETICAL STUDY OF THE ELECTRONIC STRUCTURE OF TRANSITION-METAL COMPLEXES

10.2172/4301935 ◽

1956 ◽

Cited By ~ 5

Author(s):

J Richardson ◽

R Rundle

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Theoretical Study

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Electronic structure of transition metal dichalcogenides monolayers 1H-MX2 (M = Mo, W; X = S, Se, Te) from ab-initio theory: new direct band gap semiconductors

The European Physical Journal B ◽

10.1140/epjb/e2012-30070-x ◽

2012 ◽

Vol 85 (6) ◽

Cited By ~ 316

Author(s):

A. Kumar ◽

P. K. Ahluwalia

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Ab Initio ◽

Band Gap ◽

Transition Metal Dichalcogenides ◽

Direct Band Gap ◽

Ab Initio Theory ◽

Metal Dichalcogenides ◽

Direct Band

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2P241 Theoretical Study of DNA Repair Mechanism of Blue Light Photoreceptors by Ab initio Electronic Structure Calculation(18A. Photobiology: Vision & Photoreception,Poster)

Seibutsu Butsuri ◽

10.2142/biophys.53.s198_6 ◽

2013 ◽

Vol 53 (supplement1-2) ◽

pp. S198

Author(s):

Ryuma Sato ◽

Tsutomu Kawatsu ◽

Takahisa Yamato

Keyword(s):

Dna Repair ◽

Electronic Structure ◽

Ab Initio ◽

Blue Light ◽

Theoretical Study ◽

Structure Calculation ◽

Electronic Structure Calculation ◽

Repair Mechanism ◽

Ab Initio Electronic Structure

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Electronic structure of tetracoordinate transition-metal complexes. 5. Comparative theoretical ab initio/Hartree-Fock-Slater and ultraviolet-photoelectron spectroscopic studies of building blocks for low-dimensional conductors. Dibenzo[b,i][1,4,8,11]tetraazacyclotetradecine complexes of nickel(II) and palladium(II)

Inorganic Chemistry ◽

10.1021/ic00039a031 ◽

1992 ◽

Vol 31 (13) ◽

pp. 2835-2842 ◽

Cited By ~ 8

Author(s):

Maurizio Casarin ◽

Enrico Ciliberto ◽

Santo Di Bella ◽

Antonino Gulino ◽

Ignazio Fragala ◽

...

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Complexes ◽

Ab Initio ◽

Transition Metal Complexes ◽

Building Blocks ◽

Spectroscopic Studies ◽

Hartree Fock ◽

Low Dimensional

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Bonding analysis and electronic structure of transition metal–benzoquinoline complexes: A theoretical study

Polyhedron ◽

10.1016/j.poly.2011.07.012 ◽

2011 ◽

Vol 30 (16) ◽

pp. 2644-2653 ◽

Cited By ~ 16

Author(s):

Naïma Bouchakri ◽

Akila Benmachiche ◽

Bachir Zouchoune

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Theoretical Study ◽

Bonding Analysis

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Theoretical study of the electronic structure of the transition metal dimers, Sc2, Cr2, Mo2 and Ni2

Faraday Symposia of the Chemical Society ◽

10.1039/fs9801400159 ◽

1980 ◽

Vol 14 ◽

pp. 159 ◽

Cited By ~ 33

Author(s):

Carol Wood ◽

Mark Doran ◽

Ian H. Hillier ◽

Martyn F. Guest

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Theoretical Study

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Structural Parameters and Electronic Structure of Monolayers of Transition Metal Dichalcogenides from Ab Initio Calculations

Acta Physica Polonica A ◽

10.12693/aphyspola.129.a-56 ◽

2016 ◽

Vol 129 (1a) ◽

pp. A-56-A-58 ◽

Cited By ~ 2

Author(s):

T. Woźniak ◽

P. Scharoch ◽

M.J. Winiarski

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Ab Initio Calculations ◽

Ab Initio ◽

Structural Parameters ◽

Transition Metal Dichalcogenides ◽

Metal Dichalcogenides

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