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101

Competing C−F Activation Pathways in the Reaction of Pt(0) with Fluoropyridines: Phosphine-Assistance versus Oxidative Addition

Nova, Ainara, Erhardt, Stefan, Jasim, Naseralla A., Perutz, Robin N., Macgregor, Stuart A., McGrady, John E., Whitwood, Adrian C.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 1.65 MB

english, 2008

102

Mechanisms of C–H bond activation: rich synergy between computation and experiment

Boutadla, Youcef, Davies, David L., Macgregor, Stuart A., Poblador-Bahamonde, Amalia I.

Journal:

Dalton Transactions

Year:

2009

Language:

english

File:

PDF, 424 KB

english, 2009

103

Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups

Tricas, Hugo, Colon, Marta, Ellis, David, Macgregor, Stuart A., McKay, David, Rosair, Georgina M., Welch, Alan J., Glukhov, Ivan V., Rossi, Fulvio, Laschi, Franco, Zanello, Piero

Journal:

Dalton Transactions

Year:

2011

Language:

english

File:

PDF, 843 KB

english, 2011

104

Phosphine- and Pyridine-Functionalized N-Heterocyclic Carbene Methyl and Allyl Complexes of Palladium. Unexpected Regiospecificity of the Protonation Reaction of the Dimethyl Complexes

Danopoulos, Andreas A., Tsoureas, Nikolaos, Macgregor, Stuart A., Smith, Christopher

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 227 KB

english, 2007

105

Dehydrogenative Boron Homocoupling of an Amine-Borane

Johnson, Heather C., McMullin, Claire L., Pike, Sebastian D., Macgregor, Stuart A., Weller, Andrew S.

Journal:

Angewandte Chemie International Edition

Year:

2013

Language:

english

File:

PDF, 599 KB

english, 2013

106

Mechanisms of Catalyst Poisoning in Palladium-Catalyzed Cyanation of Haloarenes. Remarkably Facile C−N Bond Activation in the [(Ph 3 P) 4 Pd]/[Bu 4 N] + CN - System

Erhardt, Stefan, Grushin, Vladimir V., Kilpatrick, Alison H., Macgregor, Stuart A., Marshall, William J., Roe, D. Christopher

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 409 KB

english, 2008

107

Natural Bond Orbital Analysis of the Electronic Structure of [L n M(CH 3 )] and [L n M(CF 3 )] Complexes

Algarra, Andrés G., Grushin, Vladimir V., Macgregor, Stuart A.

Journal:

Organometallics

Year:

2012

Language:

english

File:

PDF, 746 KB

english, 2012

108

Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes) 2 ] + : A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes

Poulten, Rebecca C., Page, Michael J., Algarra, Andrés G., Le Roy, Jennifer J., López, Isidoro, Carter, Emma, Llobet, Antoni, Macgregor, Stuart A., Mahon, Mary F., Murphy, Damien M., Murugesu, Muralee

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 952 KB

english, 2013

109

Formation of low density hydrous iron oxide via conformal transformation of MIL-53(Fe)

Pirzada, Talha J., MacGregor, Stuart A., Ahmed, Safeer, Edler, Karen J., Hamzah, Harina Amer, Jiang, Dongmei, Burrows, Andrew D., Mitchels, John M., Hassan, Ibrahim A. I., Halls, Jonathan E., Marken,

Journal:

Chemical Communications

Year:

2013

Language:

english

File:

PDF, 1.40 MB

english, 2013

110

H−X Bond Activation via Hydrogen Transfer to Hydride in Ruthenium N-Heterocyclic Carbene Complexes: Density Functional and Synthetic Studies

Chatwin, Sarah L., Davidson, Matthew G., Doherty, Cheryl, Donald, Steven M., Jazzar, Rodolphe F. R., Macgregor, Stuart A., McIntyre, Garry J., Mahon, Mary F., Whittlesey, Michael K.

Journal:

Organometallics

Year:

2006

Language:

english

File:

PDF, 450 KB

english, 2006

111

Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance

Timerbulatova, Marina G., Gatus, Mark R. D., Vuong, Khuong Q., Bhadbhade, Mohan, Algarra, Andrés G., Macgregor, Stuart A., Messerle, Barbara A.

Journal:

Organometallics

Year:

2013

Language:

english

File:

PDF, 1.82 MB

english, 2013

112

A combined experimental and computational study of fluxional processes in sigma amine–borane complexes of rhodium and iridium

Algarra, Andrés G., Sewell, Laura J., Johnson, Heather C., Macgregor, Stuart A., Weller, Andrew S.

Journal:

Dalton Transactions

Year:

2014

Language:

english

File:

PDF, 1.61 MB

english, 2014

113

The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process

Miloserdov, Fedor M., McMullin, Claire L., Belmonte, Marta Martı́nez, Benet-Buchholz, Jordi, Bakhmutov, Vladimir I., Macgregor, Stuart A., Grushin, Vladimir V.

Journal:

Organometallics

Year:

2014

Language:

english

File:

PDF, 2.93 MB

english, 2014

114

Can site and landscape-scale environmental attributes buffer bird populations against weather events?

Newson, Stuart E., Oliver, Tom H., Gillings, Simon, Crick, Humphrey Q. P., Morecroft, Michael D., Duffield, Simon J., Macgregor, Nicholas A., Pearce-Higgins, James W.

Journal:

Year:

2014

Language:

english

File:

PDF, 2.86 MB

english, 2014

115

Nine Loci for Ocular Axial Length Identified through Genome-wide Association Studies, Including Shared Loci with Refractive Error

Cheng, Ching-Yu, Schache, Maria, Ikram, M. Kamran, Young, Terri L., Guggenheim, Jeremy A., Vitart, Veronique, MacGregor, Stuart, Verhoeven, Virginie J.M., Barathi, Veluchamy A., Liao, Jiemin, Hysi, Pi

Journal:

The American Journal of Human Genetics

Year:

2013

Language:

english

File:

PDF, 959 KB

english, 2013

116

THROMBOTIC THROMBOCYTOPENIC PURPURA

Erskine Stuart, A., Macgregor-Robertson, G.

Journal:

Year:

1956

Language:

english

File:

PDF, 1.28 MB

english, 1956

117

THE ETIOLOGY OF CANCER.

Erskine Stuart, A., Macgregor-Robertson, G.

Journal:

Year:

1900

Language:

english

File:

PDF, 210 KB

english, 1900

118

Society of Surgical Oncology–American Society for Radiation Oncology Consensus Guideline on Margins for Breast-Conserving Surgery With Whole-Breast Irradiation in Stages I and II Invasive Breast Cancer

Moran, Meena S., Schnitt, Stuart J., Giuliano, Armando E., Harris, Jay R., Khan, Seema A., Horton, Janet, Klimberg, Suzanne, Chavez-MacGregor, Mariana, Freedman, Gary, Houssami, Nehmat, Johnson, Peggy

Journal:

International Journal of Radiation Oncology*Biology*Physics

Year:

2014

Language:

english

File:

PDF, 386 KB

english, 2014

119

THE PROGNOSTIC SIGNIFICANCE OF THYROID ANTIBODIES IN THE MANAGEMENT OF THYROTOXICOSIS

Irvine, W.J., Macgregor, A.G., Stuart, A.E.

Journal:

Year:

1962

Language:

english

File:

PDF, 791 KB

english, 1962

120

Combined Experimental and Computational Investigations of Rhodium- and Ruthenium-Catalyzed C–H Functionalization of Pyrazoles with Alkynes

Algarra, Andrés G., Cross, Warren B., Davies, David L., Khamker, Qudsia, Macgregor, Stuart A., McMullin, Claire L., Singh, Kuldip

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 790 KB

english, 2014

121

Activation of an Alkyl C−H Bond Geminal to an Agostic Interaction: An Unusual Mode of Base-Induced C−H Activation

Häller, L. Jonas L., Page, Michael J., Macgregor, Stuart A., Mahon, Mary F., Whittlesey, Michael K.

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 306 KB

english, 2009

122

Theoretical Study of the Oxidative Addition of Ammonia to Various Unsaturated Low-Valent Transition Metal Species

Macgregor, Stuart A.

Journal:

Organometallics

Year:

2001

Language:

english

File:

PDF, 233 KB

english, 2001

123

Structure, Reactivity, and Computational Studies of a Novel Ruthenium Hydrogen Sulfide Dihydride Complex

Chatwin, Sarah L., Diggle, Richard A., Jazzar, Rodolphe F. R., Macgregor, Stuart A., Mahon, Mary F., Whittlesey, Michael K.

Journal:

Inorganic Chemistry

Year:

2003

Language:

english

File:

PDF, 72 KB

english, 2003

124

Theoretical Studies on the Insertions of Unsymmetrical Alkynes into the Metal−Carbon Bond of Phosphanickelacycles: Electronic Factors

Macgregor, Stuart A., Wenger, Eric

Journal:

Organometallics

Year:

2002

Language:

english

File:

PDF, 211 KB

english, 2002

125

Computational Studies on the Stabilities of trans -[Ir(OMe)(CO)(PPh 3 ) 2 ] and trans -[Ir(CH 2 Me)(CO)(PPh 3 ) 2 ] toward β-H Elimination

Macgregor, Stuart A., Vadivelu, Prabha

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 360 KB

english, 2007

126

Why Is .beta.-Me Elimination Only Observed in d0 Early-Transition-Metal Complexes? An Organometallic Hyperconjugation Effect with Consequences for the Termination Step in Ziegler-Natta Catalysis

Sini, Gjergji, Macgregor, Stuart A., Eisenstein, Odile, Teuben, Jan H.

Journal:

Organometallics

Year:

1994

Language:

english

File:

PDF, 1.22 MB

english, 1994

127

Genome-wide analysis of multi-ancestry cohorts identifies new loci influencing intraocular pressure and susceptibility to glaucoma

Hysi, Pirro G, Cheng, Ching-Yu, Springelkamp, Henriët, Macgregor, Stuart, Bailey, Jessica N Cooke, Wojciechowski, Robert, Vitart, Veronique, Nag, Abhishek, Hewitt, Alex W, Höhn, René, Venturini, Crist

Journal:

Nature Genetics

Year:

2014

Language:

english

File:

PDF, 538 KB

english, 2014

128

Why Nickel(II) Binds CO Best in Trigonal Bipyramidal and Square Pyramidal Geometries and Possible Consequences for CO Dehydrogenase

Macgregor, Stuart A., Lu, Zheng, Eisenstein, Odile, Crabtree, Robert H.

Journal:

Inorganic Chemistry

Year:

1994

Language:

english

File:

PDF, 820 KB

english, 1994

129

Theoretical Study of the Electronic Structure of Group 6 [M(CO) 5 X] - Species (X = NH 2 , OH, Halide, H, CH 3 ) and a Reinvestigation of the Role of π-Donation in CO Lability

Macgregor, Stuart A., MacQueen, David

Journal:

Inorganic Chemistry

Year:

1999

Language:

english

File:

PDF, 180 KB

english, 1999

130

Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C 6 H 4 CH 2 PPh 2 -2)(L)] (L = Tertiary Phosphine)

Edwards, Alison J., Macgregor, Stuart A., Rae, A. David, Wenger, Eric, Willis, Anthony C.

Journal:

Organometallics

Year:

2001

Language:

english

File:

PDF, 213 KB

english, 2001

131

CF 3 –Ph Reductive Elimination from [(Xantphos)Pd(CF 3 )(Ph)]

Bakhmutov, Vladimir I., Bozoglian, Fernando, Gómez, Kerman, González, Gabriel, Grushin, Vladimir V., Macgregor, Stuart A., Martin, Eddy, Miloserdov, Fedor M., Novikov, Maxim A., Panetier, Julien A., R

Journal:

Organometallics

Year:

2012

Language:

english

File:

PDF, 2.19 MB

english, 2012

132

Smooth C(alkyl)–H bond activation in rhodium complexes comprising abnormal carbene ligands

Krüger, Anneke, Häller, L. Jonas L., Müller-Bunz, Helge, Serada, Olha, Neels, Antonia, Macgregor, Stuart A., Albrecht, Martin

Journal:

Dalton Transactions

Year:

2011

Language:

english

File:

PDF, 722 KB

english, 2011

133

Computational Study of the Reaction of C 6 F 6 with [IrMe(PEt 3 ) 3 ]: Identification of a Phosphine-Assisted C−F Activation Pathway via a Metallophosphorane Intermediate

Erhardt, Stefan, Macgregor, Stuart A.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 1019 KB

english, 2008

134

Fluxionality of [(Ph 3 P) 3 M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph 3 P) 3 Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson’s Catalyst?

Goodman, Jenni, Grushin, Vladimir V., Larichev, Roman B., Macgregor, Stuart A., Marshall, William J., Roe, D. Christopher

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 2.97 MB

english, 2010

135

The first supraicosahedral p-block metallacarboranes

Wilson, Neil M. M., Ellis, David, Boyd, Alan S. F., Giles, Barry T., Macgregor, Stuart A., Rosair, Georgina M., Welch, Alan J.

Journal:

Chemical Communications

Year:

2002

Language:

english

File:

PDF, 135 KB

english, 2002

136

Computational Study of the Mechanism of Cyclic Acetal Formation via the Iridium(I)-Catalyzed Double Hydroalkoxylation of 4-Pentyn-1-ol with Methanol

Fjermestad, Torstein, Ho, Joanne H. H., Macgregor, Stuart A., Messerle, Barbara A., Tuna, Deniz

Journal:

Organometallics

Year:

2011

Language:

english

File:

PDF, 2.51 MB

english, 2011

137

Computational Studies of Intramolecular Carbon−Heteroatom Bond Activation of N-Aryl Heterocyclic Carbene Ligands

Diggle, Richard A., Kennedy, Andrew A., Macgregor, Stuart A., Whittlesey, Michael K.

Journal:

Organometallics

Year:

2008

Language:

english

File:

PDF, 1.32 MB

english, 2008

138

Theoretical Study of CO Migratory Insertion Reactions with Group 10 Metal−Alkyl and −Alkoxide Bonds

Macgregor, Stuart A., Neave, Greg W.

Journal:

Organometallics

Year:

2003

Language:

english

File:

PDF, 256 KB

english, 2003

139

Rhodium(I) Silyl Complexes for C–F Bond Activation Reactions of Aromatic Compounds: Experimental and Computational Studies

Raza, Anna Lena, Panetier, Julien A., Teltewskoi, Michael, Macgregor, Stuart A., Braun, Thomas

Journal:

Organometallics

Year:

2013

Language:

english

File:

PDF, 1.76 MB

english, 2013

140

Computational Study of C−C Activation of 1,3-Dimesitylimidazol-2-ylidene (IMes) at Ruthenium: The Role of Ligand Bulk in Accessing Reactive Intermediates

Diggle, Richard A., Macgregor, Stuart A., Whittlesey, Michael K.

Journal:

Organometallics

Year:

2008

Language:

english

File:

PDF, 1.21 MB

english, 2008

141

Optimized Structures of Bimetallic Systems: A Comparison of Full- and Broken-Symmetry Density Functional Calculations

Lovell, Timothy, McGrady, John E., Stranger, Robert, Macgregor, Stuart A.

Journal:

Inorganic Chemistry

Year:

1996

Language:

english

File:

PDF, 275 KB

english, 1996

142

Computational and synthetic studies on the cyclometallation reaction of dimethylbenzylamine with [IrCl2Cp*]2: role of the chelating base

Boutadla, Youcef, Davies, David L., Macgregor, Stuart A., Poblador-Bahamonde, Amalia I.

Journal:

Dalton Transactions

Year:

2009

Language:

english

File:

PDF, 441 KB

english, 2009

143

N−H versus C−H Activation of a Pyrrole Imine at {Cp*Ir}: A Computational and Experimental Study

Davies, David L., Donald, Steven M. A., Al-Duaij, Omar, Fawcett, John, Little, Craig, Macgregor, Stuart A.

Journal:

Organometallics

Year:

2006

Language:

english

File:

PDF, 85 KB

english, 2006

144

Fluxionality of [(Ph 3 P) 3 Rh(X)]: The Extreme Case of X = CF 3

Goodman, Jenni, Grushin, Vladimir V., Larichev, Roman B., Macgregor, Stuart A., Marshall, William J., Roe, D. Christopher

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 274 KB

english, 2009

145

Photochemical Isomerization of N-Heterocyclic Carbene Ruthenium Hydride Complexes: In situ Photolysis, Parahydrogen, and Computational Studies

Ampt, Kirsten A. M., Burling, Suzanne, Donald, Steven M. A., Douglas, Susie, Duckett, Simon B., Macgregor, Stuart A., Perutz, Robin N., Whittlesey, Michael K.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 59 KB

english, 2006

146

Formation of [Ru(NHC) 4 (η 2 -O 2 )H] + : An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O 2

L. Häller, L. Jonas, Mas-Marzá, Elena, Moreno, Aitor, Lowe, John P., Macgregor, Stuart A., Mahon, Mary F., Pregosin, Paul S., Whittlesey, Michael K.

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 196 KB

english, 2009

147

Experimental and Computational Investigation of C−N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes

Häller, L. Jonas L., Page, Michael J., Erhardt, Stefan, Macgregor, Stuart A., Mahon, Mary F., Naser, M. Abu, Vélez, Andrea, Whittlesey, Michael K.

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 1.91 MB

english, 2010

148

The Conformations of 13-Vertex ML 2 C 2 B 10 Metallacarboranes: Experimental and Computational Studies

Dalby, Kelly J., Ellis, David, Erhardt, Stefan, McIntosh, Ruaraidh D., Macgregor, Stuart A., Rae, Karen, Rosair, Georgina M., Settels, Volker, Welch, Alan J., Hodson, Bruce E., McGrath, Thomas D., Sto

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 708 KB

english, 2007

149

Mechanism of the [RhF(PPh 3 ) 3 ] to cis -[RhPh(PPh 3 ) 2 (PFPh 2 )] Interconversion: P−C Activation and F/Ph Exchange via a Metallophosphorane Pathway

Macgregor, Stuart A., Wondimagegn, Tebikie

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 287 KB

english, 2007

150

Isolable, Unsaturated Ru(0) in Ru(CO)2(PtBu2Me)2: Not Isostructural with Rh(I) in Rh(CO)2(PR3)2+

Ogasawara, Masamichi, Macgregor, Stuart A., Streib, William E., Folting, Kirsten, Eisenstein, Odile, Caulton, Kenneth G.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 887 KB

english, 1995