Time-Dependent B-Spline R-Matrix Approach to Double Ionization of Atoms by XUV Laser Pulses (2009)
Guan, Xiaoxu,
Zatsarinny, O,
Noble, C J,
Bartschat, K,
Schneider, B I
We present an {\it ab initio} and non-perturbative time-dependent approach to the problem of double ionization of a general atom driven by intense XUV laser pulses. After using a highly flexible...
A general approach to few-cycle intense laser interactions with complex atoms (2007)
Guan, X.,
Zatsarinny, O.,
Bartschat, K.,
Schneider, B. I.,
Feist, J.,
Noble, C. J.
A general {\it ab-initio} and non-perturbative method to solve the time-dependent Schr\"odinger equation (TDSE) for the interaction of a strong attosecond laser pulse with a general atom, i.e.,...
Application of CW and Pulsed EPR, MoSophe, and DFT Calculations in Unravelling the Electronic Structure of the Molybdenum(V) (2007)
Drew, S.C.,
Lane, I.,
Noble, C.J.,
Young, C.G.,
Hanson, G.R.
Dimethylsulfoxide reductase, a bacterial molybdenum oxotransferase, belongs to the Type-III Clade of the dimethylsulfoxide (DMSO) reductase family of molybdenum enzymes and catalyses the conversion...
Application of CW and pulsed EPR, MoSophe and DFT calculations in unravelling the electronic structure of the molybdenum(V) centre in dimethylsulfoxide reductase (2007)
Noble, C. J.,
Drew, S.,
Lane, I.,
Benson, S.,
McEwan, A. G.,
Young, C. G.,
...
Dimethylsulfoxide reductase, a bacterial molybdenum oxotransferase, belongs to the Type-III Clade of the dimethylsulfoxide (DMSO) reductase family of molybdenum enzymes and catalyses the conversion...
Interactive Simulation of CW and Pulsed EPR Spectra (2007)
Noble, C.J.,
Hanson, G.R.
A general program for the computer simulation of cw electron paramagnetic resonance spectra has previously been developed [1]. This simulation package is currently being extended to include the...
Application of CW and Pulsed EPR, MoSophe, and DFT Calculations in Unravelling the Electronic Structure of the Molybdenum(V) Centre in Dimethylsulfoxide Reductase (2007)
Noble, C. J.,
Drew, S. C.,
Lane, I.,
Benson, S.,
McEwan, A. G.,
Young, C. G.,
...
Application of CW and Pulsed EPR, MoSophe, and DFT Calculations in Unravelling the Electronic Structure of the Molybdenum(V) (2007)
Drew, S.C.,
Lane, I.,
Noble, C.J.,
Young, C.G.,
Hanson, G.R.
Dimethylsulfoxide reductase, a bacterial molybdenum oxotransferase, belongs to the Type-III Clade of the dimethylsulfoxide (DMSO) reductase family of molybdenum enzymes and catalyses the conversion...
Application of CW and pulsed EPR, MoSophe and DFT calculations in unravelling the electronic structure of the molybdenum(V) centre in dimethylsulfoxide reductase (2007)
Noble, C. J.,
Drew, S.,
Lane, I.,
Benson, S.,
McEwan, A. G.,
Young, C. G.,
...
Dimethylsulfoxide reductase, a bacterial molybdenum oxotransferase, belongs to the Type-III Clade of the dimethylsulfoxide (DMSO) reductase family of molybdenum enzymes and catalyses the conversion...
Interactive Simulation of CW and Pulsed EPR Spectra (2007)
Noble, C.J.,
Hanson, G.R.
A general program for the computer simulation of cw electron paramagnetic resonance spectra has previously been developed [1]. This simulation package is currently being extended to include the...
Application of CW and Pulsed EPR, MoSophe, and DFT Calculations in Unravelling the Electronic Structure of the Molybdenum(V) Centre in Dimethylsulfoxide Reductase (2007)
Noble, C. J.,
Drew, S. C.,
Lane, I.,
Benson, S.,
McEwan, A. G.,
Young, C. G.,
...
EPR Studies of Sulfur Centered Radicals and the Low-g Type-I Mo(V) Species in Dimtheylsulfoxide reductase Implications for Catalysis and Electron Transfer (2006)
Lane, I.,
Drew, S. C.,
Noble, C. J.,
McEwan, A. G.,
Pilbrow, J. R.,
Hanson, G. R.
Application of CW and Pulsed EPR, MoSophe and DFT Calculations in Unravelling the Electron Structure of the Molbdenum(V) Centre in Dimethylsulfoxide Reductase (2006)
Noble, C. J.,
Drew, S.,
Lane, I.,
Benson, S.,
McEwan, A. G.,
Hanson, G. R.
EPR Studies of Sulfur Centered Radicals and the Low-g Type-I Mo(V) Species in Dimtheylsulfoxide reductase Implications for Catalysis and Electron Transfer (2006)
Lane, I.,
Drew, S. C.,
Noble, C. J.,
McEwan, A. G.,
Pilbrow, J. R.,
Hanson, G. R.
Application of CW and Pulsed EPR, MoSophe and DFT Calculations in Unravelling the Electron Structure of the Molbdenum(V) Centre in Dimethylsulfoxide Reductase (2006)
Noble, C. J.,
Drew, S.,
Lane, I.,
Benson, S.,
McEwan, A. G.,
Hanson, G. R.
Molecular Sophe: An Integrated Approach to the Analysis of CW and Pulsed EPR Spectra of Biomolecules (2004)
Hanson, G. R.,
Noble, C. J.,
Mitchell, A.,
Benson, S.,
Lane, I.,
McEwan, A. G.,
...
Molecular Sophe: an Integrated Molecular Approach to the Analysis of Continuous Wave and Pulsed EPR Spectra of Biomolecules (2004)
Hanson, G. R.,
Noble, C. J.,
Mitchell, A.,
Benson, S.,
Lane, I.,
McKewan, A. G.,
...
Molecular Sophe: An Integrated Approach to the Analysis of CW and Pulsed EPR Spectra of Biomolecules (2004)
Hanson, G. R.,
Noble, C. J.,
Mitchell, A.,
Benson, S.,
Lane, I.,
McEwan, A. G.,
...
Molecular Sophe: an Integrated Molecular Approach to the Analysis of Continuous Wave and Pulsed EPR Spectra of Biomolecules (2004)
Hanson, G. R.,
Noble, C. J.,
Mitchell, A.,
Benson, S.,
Lane, I.,
McKewan, A. G.,
...
XSophe - Sophe - XeprView: A computer simulation software suite for the analysis of continuous wave EPR spectra (2003)
Hanson, G.R.,
Gates, K.E.,
Noble, C.J.,
Mitchell, A.,
Benson, S.,
Griffin, M.,
...
EPR of Free Radicals in Solids: Trends in Methods and Applications presents methods and applications of modern EPR for the study of free radical processes in solids, which so far are only available...
XSophe - Sophe - XeprView: A computer simulation software suite for the analysis of continuous wave EPR spectra (2003)
Hanson, G.R.,
Gates, K.E.,
Noble, C.J.,
Mitchell, A.,
Benson, S.,
Griffin, M.,
...
EPR of Free Radicals in Solids: Trends in Methods and Applications presents methods and applications of modern EPR for the study of free radical processes in solids, which so far are only available...
Characterization of redox centers in dimethyl sulfide dehydrogenase from Rhodovulum sulfidophilum (2002)
McDevitt, C. A.,
Hanson, G. R.,
Noble, C. J.,
Cheesman, M. R.,
McEwan, A. G.
Dimethyl sulfide dehydrogenase from the purple phototrophic bacterium Rhodovulum sulfidophilum catalyzes the oxidation of dimethyl sulfide to dimethyl sulfoxide. Recent DNA sequence analysis of the...
Characterization of redox centers in dimethyl sulfide dehydrogenase from Rhodovulum sulfidophilum (2002)
McDevitt, C. A.,
Hanson, G. R.,
Noble, C. J.,
Cheesman, M. R.,
McEwan, A. G.
Dimethyl sulfide dehydrogenase from the purple phototrophic bacterium Rhodovulum sulfidophilum catalyzes the oxidation of dimethyl sulfide to dimethyl sulfoxide. Recent DNA sequence analysis of the...
Xsophe, a computer simulation software suite for the analysis of CW EPR spectra. Application to the analysis of mono-, di- and tri-nitroxide EPR spectra (2001)
Hanson, G. R.,
Noble, C. J.,
Gates, K. E.,
Burrage, K.,
Smith, C.D.,
Bottle, S E
XSophe, a computer simulation software suite for the analysis of electron paramagnetic resonance spectra (2001)
Hanson, G. R.,
Noble, C. J.,
Gates, K. E.,
Burrage, K.
The XSophe computer simulation software suite consisting of a daemon, the XSophe interface and the computational program Sophe is a state of the art package for the simulation of electron...
Xsophe and its application to the analysis of EPR spectra from the molybdoenzymes dimethylsulfoxide reductase and dimethylsulfide dehydrogenase (2001)
Noble, C. J.,
McDevitt, C. A.,
Lane, I.,
Griffin, M. P.,
Mcewan, A. G.,
Gates, K. E.,
...
Xsophe and its application to the analysis of EPR spectra from the molybdoenzymes dimethylsulfoxide reductase and dimethylsulfide dehydrogenase (2001)
Noble, C. J.,
McDevitt, C. A.,
Lane, I.,
Griffin, M. P.,
Mcewan, A. G.,
Gates, K. E.,
...
Xsophe, a computer simulation software suite for the analysis of CW EPR spectra. Application to the analysis of mono-, di- and tri-nitroxide EPR spectra (2001)
Hanson, G. R.,
Noble, C. J.,
Gates, K. E.,
Burrage, K.,
Smith, C.D.,
Bottle, S E
XSophe, a computer simulation software suite for the analysis of electron paramagnetic resonance spectra (2001)
Hanson, G. R.,
Noble, C. J.,
Gates, K. E.,
Burrage, K.
The XSophe computer simulation software suite consisting of a daemon, the XSophe interface and the computational program Sophe is a state of the art package for the simulation of electron...
Sweet potato purple acid phosphatase: first example of a strongly antiferromagnetically coupled Fe-Mn binuclear centre in a protein (2000)
Schenk, G.,
Boutchard, C.,
Noble, C. J.,
Moubaraki, B.,
Murray, K. S.,
Hanson, G. R.,
...
XSophe=Sophe-XeprView - Bruker's Professional CW-EPR Simulation Suite (2000)
Heichel, M.,
Hofer, P.,
Kamlowski, A.,
Griffin, M. P.,
Muys, A.,
Noble, C. J.,
...
Sweet potato purple acid phosphatase: first example of a strongly antiferromagnetically coupled Fe-Mn binuclear centre in a protein (2000)
Schenk, G.,
Boutchard, C.,
Noble, C. J.,
Moubaraki, B.,
Murray, K. S.,
Hanson, G. R.,
...
XSophe=Sophe-XeprView - Bruker's Professional CW-EPR Simulation Suite (2000)
Heichel, M.,
Hofer, P.,
Kamlowski, A.,
Griffin, M. P.,
Muys, A.,
Noble, C. J.,
...
Refinement of the EPR parameters for the high spin FE(III) center in a sweet potato purple acid phosphatase - the influence of strain broadening (1999)
Hanson, G. R.,
Noble, C. J.,
Schenk, G.,
Hamilton, S. E.,
Boutchard, C.,
De Jersey, J.
Refinement of the EPR parameters from the high spin Fe(III) centre in sweet potato purple acid phsphatase - the influence of strain broadening (1999)
Hanson, G. R.,
Noble, C. J.,
Boutchard, C.,
Schenk, G.,
Hamilton, S. E.,
De Jersey, J.
XSophe, a computer simulation software suite for the analysis of electron paramagnetic resonance spectra (1999)
Griffin, M.,
Hanson, G. R.,
Noble, C. J.,
Muys, A.,
Gates, K. E.,
Burrage, K.
XSOPHE, A computer simulation software suite for the analysis of electron paramagnetic resonance spectra (1999)
Griffin, M.,
Muys, A.,
Noble, C. J.,
Eldershaw, C.,
Gates, K. E.,
Burrage, K.,
...
Refinement of the EPR parameters for the high spin FE(III) center in a sweet potato purple acid phosphatase - the influence of strain broadening (1999)
Hanson, G. R.,
Noble, C. J.,
Schenk, G.,
Hamilton, S. E.,
Boutchard, C.,
De Jersey, J.
Refinement of the EPR parameters from the high spin Fe(III) centre in sweet potato purple acid phsphatase - the influence of strain broadening (1999)
Hanson, G. R.,
Noble, C. J.,
Boutchard, C.,
Schenk, G.,
Hamilton, S. E.,
De Jersey, J.
XSophe, a computer simulation software suite for the analysis of electron paramagnetic resonance spectra (1999)
Griffin, M.,
Hanson, G. R.,
Noble, C. J.,
Muys, A.,
Gates, K. E.,
Burrage, K.
XSOPHE, A computer simulation software suite for the analysis of electron paramagnetic resonance spectra (1999)
Griffin, M.,
Muys, A.,
Noble, C. J.,
Eldershaw, C.,
Gates, K. E.,
Burrage, K.,
...
Parallel Application Software on High Performance Computers - A guide to Fortran 90 programming and the Cray T3D (1996)
A. Sunderland,
C.J. Noble,
R.J. Allan,
I.J. Bush,
K. Maguire,
The Cray Td
The f90 compiler v0.1.1 on the Cray T3D massively parallel processor is a subset of the Fortran 90 international standard ISO/IEC 1539-1991. The most obvious deviation is the lack of modules and...