Ion pairing in transition-metal carbonylates modeled by ab initio calculations on BH2COMa (Ma = lithium, sodium)

Keith H. Pannell; Krishan S. Raghuveer; Janet E. DelBene; Francis Nathan

doi:10.1021/ja00250a022

Ion pairing in transition-metal carbonylates modeled by ab initio calculations on BH2COMa (Ma = lithium, sodium)

Journal of the American Chemical Society ◽

10.1021/ja00250a022 ◽

1987 ◽

Vol 109 (16) ◽

pp. 4890-4894 ◽

Cited By ~ 3

Author(s):

Keith H. Pannell ◽

Krishan S. Raghuveer ◽

Janet E. DelBene ◽

Francis Nathan

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Ab Initio ◽

Ion Pairing

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ChemInform Abstract: Ion Pairing in Transition-Metal Carbonylates Modeled by ab initio Calculations on BH2COMa (Ma: Li, Na).

ChemInform ◽

10.1002/chin.198747063 ◽

1987 ◽

Vol 18 (47) ◽

Author(s):

K. H. PANNELL ◽

K. S. RAGHUVEER ◽

J. E. DELBENE ◽

F. NATHAN

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Ab Initio ◽

Ion Pairing

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Ab initio calculations on first row transition metal hydrides TMHn+and helides TMHe(n+1)+(TM = Sc–Cu, n = 0–2)

Physical Chemistry Chemical Physics ◽

10.1039/b208640a ◽

2003 ◽

Vol 5 (2) ◽

pp. 252-258 ◽

Cited By ~ 14

Author(s):

David J. D. Wilson ◽

Colin J. Marsden ◽

Ellak I. von Nagy-Felsobuki

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Ab Initio ◽

Metal Hydrides ◽

Transition Metal Hydrides

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Ab initio calculations on first-row transition metal porphyrins. Part 1. Geometrical details, charge distributions and the effects of additional charge

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(95)04156-z ◽

1995 ◽

Vol 339 (1-3) ◽

pp. 153-160 ◽

Cited By ~ 20

Author(s):

R. Zwaans ◽

J.H. van Lenthe ◽

D.H.W. den Boer

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Ab Initio ◽

Metal Porphyrins ◽

Charge Distributions ◽

Additional Charge

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Final state effects in VUV and soft X-ray absorption spectra of transition metal oxides and silicate alloys: comparisons between experiment and ab initio calculations

Journal of Electron Spectroscopy and Related Phenomena ◽

10.1016/j.elspec.2005.01.251 ◽

2005 ◽

Vol 144-147 ◽

pp. 917-919 ◽

Cited By ~ 1

Author(s):

G. Lucovsky ◽

Y. Zhang ◽

C.C. Fulton ◽

Y. Zou ◽

R.J. Nemanich ◽

...

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Metal Oxides ◽

Ab Initio ◽

Absorption Spectra ◽

Transition Metal Oxides ◽

Final State ◽

X Ray ◽

X Ray Absorption

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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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Ab Initio Calculations of the Electronic Properties of Polypyridine Transition Metal Complexes and Their Adsorption on Metal Surfaces in the Presence of Solvent and Counterions

The Journal of Physical Chemistry B ◽

10.1021/jp200893w ◽

2011 ◽

Vol 115 (30) ◽

pp. 9410-9416 ◽

Cited By ~ 9

Author(s):

E. Ö. Jónsson ◽

K. S. Thygesen ◽

J. Ulstrup ◽

K. W. Jacobsen

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Metal Complexes ◽

Ab Initio ◽

Electronic Properties ◽

Transition Metal Complexes ◽

Metal Surfaces

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Precise ab initio calculations of the 3d transition-metal clusters: Sc2

AIP Advances ◽

10.1063/1.3584201 ◽

2011 ◽

Vol 1 (2) ◽

pp. 022108 ◽

Cited By ~ 7

Author(s):

Ilya G. Kaplan ◽

Ulises Miranda

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Ab Initio ◽

Metal Clusters ◽

Transition Metal Clusters

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Ab initio calculations on the [Rh(PH3)3Cl] system. Influence of the basis set on the structural and reactivity trends of transition-metal complexes

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9928801111 ◽

1992 ◽

Vol 88 (8) ◽

pp. 1111-1117 ◽

Cited By ~ 5

Author(s):

Feliu Maseras ◽

Agustí Liedós ◽

Miquel Duran ◽

Juan Bertrán

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Metal Complexes ◽

Ab Initio ◽

Transition Metal Complexes ◽

Basis Set

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Ab initio calculations of the physical properties of transition metal carbides and nitrides and possible routes to high-T c superconductivity

Journal of Experimental and Theoretical Physics ◽

10.1134/s1063776107090221 ◽

2007 ◽

Vol 105 (3) ◽

pp. 642-651 ◽

Cited By ~ 6

Author(s):

E. G. Maksimov ◽

S. V. Ebert ◽

M. V. Magnitskaya ◽

A. E. Karakozov

Keyword(s):

Transition Metal ◽

Physical Properties ◽

Ab Initio Calculations ◽

Ab Initio ◽

Metal Carbides ◽

Transition Metal Carbides

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Ab Initio Calculations of pKaValues of Transition-Metal Hydrides in Acetonitrile

Organometallics ◽

10.1021/om0608859 ◽

2006 ◽

Vol 25 (25) ◽

pp. 5879-5886 ◽

Cited By ~ 45

Author(s):

Xiu-Juan Qi ◽

Lei Liu ◽

Yao Fu ◽

Qing-Xiang Guo

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Ab Initio ◽

Metal Hydrides ◽

Transition Metal Hydrides

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