Volume 238-239; Issue none

Main
Coordination Chemistry Reviews
Volume 238-239; Issue none

Coordination Chemistry Reviews

Volume 238-239; Issue none

1

Christian Klixbull Jørgensen (1931–2001): inorganic spectroscopist extraordinaire

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 180 KB

english, 2003

2

Thermal and optical electron transfer involving transition metal complexes: insights from theory and computation

Marshall D. Newton

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 458 KB

english, 2003

3

Modeling the spin-dependent properties of open-shell Fe(III)-containing systems: towards a computational description of nitrile hydratase

Amy J Boone, Christopher H Chang, Shannon N Greene, Thomas Herz, Nigel G.J Richards

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 974 KB

english, 2003

4

The importance of interligand interactions to structure and reactivity of coordinatively unsaturated ruthenium and iron half-sandwich complexes—application of the TSC concept II

Valentin N Sapunov, Roland Schmid, Karl Kirchner, Hideo Nagashima

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 539 KB

english, 2003

5

Effects of the bridging ligands on the molecular and electronic structure of Fe2(CO)9 derivatives

Joachim Reinhold, André Barthel, Carlo Mealli

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 399 KB

english, 2003

6

Understanding the reactivity of transition metal complexes involving multiple spin states

Jeremy N Harvey, Rinaldo Poli, Kevin M Smith

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 535 KB

english, 2003

7

Towards a rigorously defined quantum chemical analysis of the chemical bond in donor–acceptor complexes

Gernot Frenking, Karin Wichmann, Nikolaus Fröhlich, Christoph Loschen, Matthias Lein, Jan Frunzke, Vı́ctor M Rayón

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 666 KB

english, 2003

8

Double perturbation theory: a powerful tool in computational coordination chemistry

Jochen Autschbach, Tom Ziegler

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 935 KB

english, 2003

9

Electronic spectroscopy and photoreactivity in transition metal complexes

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 677 KB

english, 2003

10

Fundamental properties of small molecule models of Fe-only hydrogenase: computations relative to the definition of an entatic state in the active site

Irene P Georgakaki, Lisa M Thomson, Erica J Lyon, Michael B Hall, Marcetta Y Darensbourg

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 760 KB

english, 2003

11

DFT calculations of molecular magnetic properties of coordination compounds

Ilaria Ciofini, Claude A. Daul

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 642 KB

english, 2003

12

Density functional methods applied to metalloenzymes

Timothy Lovell, Fahmi Himo, Wen-Ge Han, Louis Noodleman

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 742 KB

english, 2003

13

Preface

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 123 KB

english, 2003

14

Theory of electroabsorption spectroscopy in poly-nuclear Ru complexes

Alessandro Ferretti

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 442 KB

english, 2003

15

Full title page

Journal:

Coordination Chemistry Reviews

Year:

2003

File:

PDF, 65 KB

2003

16

Author index

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 105 KB

english, 2003

17

ICBIC-11 Conference Announcement

Journal:

Coordination Chemistry Reviews

Year:

2003

File:

PDF, 377 KB

2003

18

Chemical bonding in transition metal carbonyl clusters: complementary analysis of theoretical and experimental electron densities.

Piero Macchi, Angelo Sironi

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 1.25 MB

english, 2003

19

How iron-containing proteins control dioxygen chemistry: a detailed atomic level description via accurate quantum chemical and mixed quantum mechanics/molecular mechanics calculations

Richard A. Friesner, Mu-Hyun Baik, Benjamin F. Gherman, Victor Guallar, Maria Wirstam, Robert B. Murphy, Stephen J. Lippard

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 589 KB

english, 2003

20

Inorganic and bioinorganic molecular mechanics modeling—the problem of the force field parameterization

Peter Comba, Rainer Remenyi

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 502 KB

english, 2003

21

Fit and misfit between ligands and metal ions

Peter Comba, Wolfgang Schiek

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 336 KB

english, 2003

22

Molecular orbital and DFT studies on water exchange mechanisms of metal ions

Hans Erras-Hanauer, Timothy Clark, Rudi van Eldik

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 782 KB

english, 2003

23

De Novo design in organometallic chemistry: stabilizing iridium(V)

Charles Edwin Webster, Michael B. Hall

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 1.14 MB

english, 2003

24

Evolution of classical/quantum methodologies: applications to oxide surfaces and interfaces

D.E. Ellis, O. Warschkow

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 800 KB

english, 2003

25

Subject index

Journal:

Coordination Chemistry Reviews

Year:

2003

Language:

english

File:

PDF, 126 KB

english, 2003

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