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51

Photochemical cleavage of the metal—carbon bond in aluminium porphyrins: Insights from ab initio calculations

Marie-Madeleine Rohmer

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 324 KB

english, 1989

52

Ab initio SCF and DFT models of met-car adducts: Ti8C12(L)n (L = Cl, NH3, CO, C6H6; n = 4, 8)

Josep-M. Poblet, Carles Bo, Marie-Madeleine Rohmer, Marc Bénard

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 387 KB

english, 1996

53

A program system for ab initio mo calculations on vector and parallel processing machines I. Evaluation of integrals

René Ernenwein, Marie-Madeleine Rohmer, Marc Benard

Journal:

Computer Physics Communications

Year:

1990

Language:

english

File:

PDF, 1.50 MB

english, 1990

54

A program system for ab initio MO calculations on vector and parallel processing machines: II. SCF closed-shell and open-shell iterations

Marie-Madeleine Rohmer, Jean Demuynck, Marc Bénard, Roland Wiest, Christian Bachmann, Charles Henriet, René Ernenwein

Journal:

Computer Physics Communications

Year:

1990

Language:

english

File:

PDF, 1.21 MB

english, 1990

55

A program system for ab initio MO calculations on vector and parallel processing machines: III. Integral reordering and four-index transformation

Roland Wiest, Jean Demuynck, Marc Bénard, Marie-Madeleine Rohmer, René Ernenwein

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 1.19 MB

english, 1991

56

DFT modelling of the [M–Pd–M]6+ metal atom chains (M = Ni, Pd): Structural, electronic and magnetic issues

Xavier López, Marie-Madeleine Rohmer, Marc Bénard

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 188 KB

english, 2008

57

A DFT based ligand field study of the EPR spectra of Co(II) and Cu(II) porphyrins

Mihail Atanasov, Claude A. Daul, Marie-Madeleine Rohmer, Tamilmani Venkatachalam

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 343 KB

english, 2006

58

(η-X)2[(μ-S2)M2] complex cores (X = O, S; M = MoV, WV): the syn/anti isomerism revisited by means of DFT calculations

Marie-Madeleine Rohmer, Marc Bénard

Journal:

Comptes Rendus Chimie

Year:

2005

File:

PDF, 263 KB

2005

59

Determining safety criteria for CO2 geological storage

Olivier Bouc, Pascal Audigane, Gaël Bellenfant, Hubert Fabriol, Marie Gastine, Jérémy Rohmer, Darius Seyedi

Journal:

Energy Procedia

Year:

2009

Language:

english

File:

PDF, 782 KB

english, 2009

60

Safety criteria for CO2 geological storage: Determination workflow and application in the context of the Paris Basin

Olivier Bouc, Gaël Bellenfant, Didier Dubois, Dominique Guyonnet, Jérémy Rohmer, Frédéric Wertz, Marie Gastine, Nicolas Jacquemet, Chan Quang Vong, Sandrine Grataloup, Géraldine Picot-Colbeaux, Hubert

Journal:

Energy Procedia

Year:

2011

Language:

english

File:

PDF, 1.00 MB

english, 2011

61

Linear trimetallic complexes with 24 d electrons: Magnetic interactions in [Ni3]6+ and [Ni–Pd–Ni]6+ dipyridylamide chain complexes from density functional theory

Xavier López, Marc Bénard, Marie-Madeleine Rohmer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 500 KB

english, 2006

62

From Lindqvist and Keggin ions to electronically inverse hosts: Ab initio modelling of the structure and reactivity of polyoxometalates

Marie-Madeleine Rohmer, Marc Bénard, Jean-Philippe Blaudeau, Juan-M Maestre, Josep-M Poblet

Journal:

Coordination Chemistry Reviews

Year:

1998

Language:

english

File:

PDF, 946 KB

english, 1998

63

Ab initio modeling of the endohedral reactivity of polyoxometalates. 2. Electrostatic potential distributions in electronically inverse hosts

Jean-Philippe Biaudeau, Marie-Madeleine Rohmer, Marc Bénard, Nour-Eddine Ghermani

Journal:

Comptes Rendus de l'Académie des Sciences - Series IIC - Chemistry

Year:

1998

File:

PDF, 1.47 MB

1998

64

End-on versus side-on coordination of dioxygen: An ab initio calculation for peroxotitaniumporphyrin

Marie-Madeleine Rohmer, Michael Barry, Alain Dedieu, Alain Veillard

Journal:

International Journal of Quantum Chemistry

Year:

1977

Language:

english

File:

PDF, 270 KB

english, 1977

65

Electronic structure and properties of model oxy and carboxy ferrous cytochrome P450: Comparison of semiempirical and ab-initio calculations

Marie-Madeleine Rohmer, Gilda H. Loew

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 548 KB

english, 1979

66

Calculated ground-state properties and optical spectrum of model carbonylheme complexes

Zelek S. Herman, Gilda H. Loew, Marie-Madeleine Rohmer

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 757 KB

english, 1980

67

Ab initio SCF calculations on [V10O28]6−: A benchmark for the classical calculation and processing of molecular integrals on large Gaussian basis sets

Marie-Madeleine Rohmer, René Ernenwein, Michel Ulmschneider, Roland Wiest, Marc Benard

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 1020 KB

english, 1991

68

Structure of Mn2(CO)10 and Mn2(CO)9: Insights from ab initio calculations

Alain Veillard, Marie-Madeleine Rohmer

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 619 KB

english, 1992

69

End-on versus side-on coordination of dioxygen modelab initiocalculations for the adducts of Co(acacen)

Marie-Madeleine Rohmer, Alain Dedieu, Alain Veillard

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1975

Language:

english

File:

PDF, 331 KB

english, 1975

70

Conformational preferences of the axial ligands in some metalloporphyrins. A theoretical study

Marie-Madeleine Rohmer, Alain Strich, Alain Veillard

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1984

Language:

english

File:

PDF, 607 KB

english, 1984

71

Prognostic value of an increase in the serum thyroglobulin level at the time of the first ablative radioiodine treatment in patients with differentiated thyroid cancer

Marie-Odile Bernier, Olivier Morel, Patrice Rodien, Jean-Pierre Muratet, Philippe Giraud, Vincent Rohmer, Christian Jeanguillaume, Jean-Claude Bigorgne, Pierre Jallet

Journal:

European Journal of Nuclear Medicine and Molecular Imaging

Year:

2005

Language:

english

File:

PDF, 83 KB

english, 2005

72

A review of tobacco BY-2 cells as an excellent system to study the synthesis and function of sterols and other isoprenoids

Andréa Hemmerlin, Esther Gerber, Jean-François Feldtrauer, Laurent Wentzinger, Marie-Andrée Hartmann, Denis Tritsch, Jean-François Hoeffler, Michel Rohmer, Thomas J. Bach

Journal:

Year:

2004

Language:

english

File:

PDF, 1.05 MB

english, 2004

73

Accumulation of 2-C-methyl-d-erythritol 2,4-cyclodiphosphate in illuminated plant leaves at supraoptimal temperatures reveals a bottleneck of the prokaryotic methylerythritol 4-phosphate pathway of isoprenoid biosynthesis

CORINNE RIVASSEAU, MYRIAM SEEMANN, ANNE-MARIE BOISSON, PETER STREB, ELISABETH GOUT, ROLAND DOUCE, MICHEL ROHMER, RICHARD BLIGNY

Journal:

Plant, Cell & Environment

Year:

2009

Language:

english

File:

PDF, 355 KB

english, 2009

74

Measurement of carbon flux through the MEP pathway for isoprenoid synthesis by 31P-NMR spectroscopy after specific inhibition of 2-C-methyl-d-erythritol 2,4-cyclodiphosphate reductase. Effect of light and temperature

GAËLLE MONGÉLARD, MYRIAM SEEMANN, ANNE-MARIE BOISSON, MICHEL ROHMER, RICHARD BLIGNY, CORINNE RIVASSEAU

Journal:

Plant, Cell & Environment

Year:

2011

Language:

english

File:

PDF, 406 KB

english, 2011

75

Local Volume Preservation for Skinned Characters

Damien Rohmer, Stefanie Hahmann, Marie-Paule Cani

Journal:

Computer Graphics Forum

Year:

2008

Language:

english

File:

PDF, 266 KB

english, 2008

76

Structural Versatility in Polyoxometalates and in Some Linear Trimetallic Complexes: An Electronic Interpretation

Marie-Madeleine Rohmer, Marc Bénard

Journal:

Journal of Cluster Science

Year:

2002

Language:

english

File:

PDF, 233 KB

english, 2002

77

Prokaryotic triterpenoids : New bacteriohopanetetrol cyclitol ethers from the methylotrophic bacterium Methylobacterium organophilum

Jean-Marie RENOUX, Michel ROHMER

Journal:

Year:

1985

Language:

english

File:

PDF, 695 KB

english, 1985

78

Enzymatic cyclization of all-trans pentaprenyl and hexaprenyl methyl ethers by a cell-free system from the protozoon Tetrahymena pyriformis : The biosynthesis of scalarane and polycyclohexaprenyl derivatives

Jean-Marie RENOUX, Michel ROHMER

Journal:

Year:

1986

Language:

english

File:

PDF, 816 KB

english, 1986

79

Long PCR Analysis of Human Gamete mtDNA Suggests Defective Mitochondrial Maintenance in Spermatozoa and Supports the Bottleneck Theory for Oocytes

Pascal Reynier, Marie-Françoise Chrétien, Frédérique Savagner, Gérald Larcher, Vincent Rohmer, Paul Barrière, Yves Malthièry

Journal:

Biochemical and Biophysical Research Communications

Year:

1998

Language:

english

File:

PDF, 264 KB

english, 1998

80

Genetic evidence of branching in the isoprenoid pathway for the production of isopentenyl diphosphate and dimethylallyl diphosphate in Escherichia coli

Manuel Rodrı́guez-Concepción, Narciso Campos, Luisa Marı́a Lois, Carlos Maldonado, Jean-François Hoeffler, Catherine Grosdemange-Billiard, Michel Rohmer, Albert Boronat

Journal:

Year:

2000

Language:

english

File:

PDF, 169 KB

english, 2000

81

Male infertility associated with multiple mitochondrial DNA rearrangements

Pascal Reynier, Marie-Françoise Chrétien, Isabelle Penisson-Besnier, Yves Malthièry, Vincent Rohmer, Patrick Lestienne

Journal:

Comptes Rendus de l'Académie des Sciences - Series III - Sciences de la Vie

Year:

1997

File:

PDF, 787 KB

1997

82

STRUCTURE, SPECTRA, AND FUNCTION OF MODEL CYTOCHROME P450

Gilda H. Loew, Zelek S. Herman, Marie-Madeleine Rohmer, Amiram Goldblum, Andrew Pudzianowski

Journal:

Annals of the New York Academy of Sciences

Year:

1981

Language:

english

File:

PDF, 1.16 MB

english, 1981

83

Contribution of immunohistochemistry, electron microscopy, and cell culture to the characterization of nonfunctioning pituitary adenomas: A study of 40 cases

Anne Croue, Veronique Beldent, Marie-Christine Rousselet, Gilles Guy, Vincent Rohmer, Jean-Claude Bigorgne, Jean-Paul Saint-Andre

Journal:

Human Pathology

Year:

1992

Language:

english

File:

PDF, 1.98 MB

english, 1992

84

Magnetic resonance imaging versus endoscopic ultrasonography for the detection of pancreatic tumours in multiple endocrine neoplasia type 1

Coralie Barbe, Arnaud Murat, Benoit Dupas, Philippe Ruszniewski, Antoine Tabarin, Marie-Pierre Vullierme, Alfred Penfornis, Vincent Rohmer, Eric Baudin, Marc Le Rhun, Delphine Gaye, Claude Marcus, Gui

Journal:

Digestive and Liver Disease

Year:

2012

Language:

english

File:

PDF, 749 KB

english, 2012

85

10.1039/b101270n

Rohmer, Marie-Madeleine, Bénard, Marc

Journal:

Chemical Society Reviews

Year:

2001

Language:

english

File:

PDF, 707 KB

english, 2001

86

Structure, Reactivity, and Growth Pathways of Metallocarbohedrenes M 8 C 12 and Transition Metal/Carbon Clusters and Nanocrystals: A Challenge to Computational Chemistry

Rohmer, Marie-Madeleine, Bénard, Marc, Poblet, Josep-M.

Journal:

Chemical Reviews

Year:

2000

Language:

english

File:

PDF, 1.11 MB

english, 2000

87

Host?guest adaptability within oxothiomolybdenum wheels: structures, studies in solution and DFT calculations

Lemonnier, Jean-Fran?ois, Floquet, S?bastien, Kachmar, Ali, Rohmer, Marie-Madeleine, B?nard, Marc, Marrot, Jer?me, Terazzi, Emmanuel, Piguet, Claude, Cadot, Emmanuel

Journal:

Dalton Transactions

Year:

2007

Language:

english

File:

PDF, 424 KB

english, 2007

88

Highly Reduced Polyoxometalates: Ab Initio and DFT Study of [PMo 8 V 4 O 40 (VO) 4 ] 5-

López, Xavier, de Graaf, Coen, Maestre, Joan Miquel, Bénard, Marc, Rohmer, Marie-Madeleine, Bo, Carles, Poblet, Josep M.

Journal:

Journal of Chemical Theory and Computation

Year:

2005

Language:

english

File:

PDF, 156 KB

english, 2005

89

The metal-nitroxyl interaction MNO metallacycles (M = copper, palladium). An ab initio SCF/CI study

Rohmer, Marie Madeleine, Grand, Andre, Benard, Marc

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 988 KB

english, 1990

90

W1130 Magnetic Resonance Imaging (MRI) vs Endoscopic Ultrasonography (EUS) for the Detection of ≥ 10-mm Pancreatic Tumors in Multiple Endocrine Neoplasia Type 1 (Men1): A Multicentric Study by the Gte

Barbe, Coralie, Murat, Arnaud, Dupas, Benoit, Ruszniewski, Philippe B., Tabarin, Antoine, Vullierme, Marie-Pierre, Penfornis, Alfred, Rohmer, Vincent, Baudin, Eric, Marcus, Claude, Cadiot, Guillaume

Journal:

Gastroenterology

Year:

2010

Language:

english

File:

PDF, 47 KB

english, 2010

91

A 6π + 6π Potentially Antiaromatic Zwitterion Preferred to a Quinoidal Structure: Its Reactivity Toward Organic and Inorganic Reagents

Braunstein, Pierre, Siri, Olivier, Taquet, Jean-philippe, Rohmer, Marie-Madeleine, Bénard, Marc, Welter, Richard

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 263 KB

english, 2003

92

Novel “Potentially Antiaromatic”, Acidichromic Quinonediimines with Tunable Delocalization of Their 6π-Electron Subunits

Siri, Olivier, Braunstein, Pierre, Rohmer, Marie-Madeleine, Bénard, Marc, Welter, Richard

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 448 KB

english, 2003

93

Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion

Dolbecq, Anne, Lisnard, Laurent, Mialane, Pierre, Marrot, Jérôme, Bénard, Marc, Rohmer, Marie-Madeleine, Sécheresse, Francis

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 440 KB

english, 2006

94

10.1039/B106100N

Benbellat, Noureddine, Rohmer, Marie-Madeleine, BÃ©nard, Marc

Journal:

Chemical Communications

Year:

2001

Language:

english

File:

PDF, 85 KB

english, 2001

95

Novel “Potentially Antiaromatic”, Acidichromic Quinonediimines with Tunable Delocalization of Their 6π-Electron Subunits [ J. Am. Chem. Soc . 2003 , 125 , 13793−13803].

Siri, Olivier, Braunstein, Pierre, Rohmer, Marie-Madeleine, Bénard, Marc, Welter, Richard

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 76 KB

english, 2004

96

[Fe 2 (SR) 2 (μ-CO)(CNMe) 6 ] 2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the H oxAir State of the Fe-Only Hydrogenase

Boyke, Christine A., Rauchfuss, Thomas B., Wilson, Scott R., Rohmer, Marie-Madeleine, Bénard, Marc

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 472 KB

english, 2004

97

Bimetallic Carbonyl Thiolates as Functional Models for Fe-Only Hydrogenases

Gloaguen, Frédéric, Lawrence, Joshua D., Rauchfuss, Thomas B., Bénard, Marc, Rohmer, Marie-Madeleine

Journal:

Inorganic Chemistry

Year:

2002

Language:

english

File:

PDF, 212 KB

english, 2002

98

Ab Initio SCF and CI Investigations on Titanium-Carbon Clusters: Metallocarbohedrenes Ti8C12 and Cfc Crystallites Ti14C13

Rohmer, Marie-Madeleine, Benard, Marc, Bo, Carles, Poblet, Josep-M.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 2.80 MB

english, 1995

99

Superlong metal-metal single bonds in bimetallic complexes of zirconium(III): extended Hueckel and ab initio SCF-CI study

Rohmer, Marie Madeleine., Benard, Marc.

Journal:

Organometallics

Year:

1991

Language:

english

File:

PDF, 859 KB

english, 1991

100

Dynamic Properties of a Hexadecamolybdenum Wheel: Studies in Solution and Density Functional Theory Calculations

Kachmar, Ali, Floquet, Sébastien, Lemonnier, Jean-François, Cadot, Emmanuel, Rohmer, Marie-Madeleine, Bénard, Marc

Journal:

Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 2.81 MB

english, 2009