Guest, Martyn F. : rechercher sur Z-Library

C.David Garner, Ian H. Hillier, Martyn F. Guest, Jennifer C. Green, Anthony W. Coleman

Année:

1975

Langue:

english

Fichier:

PDF, 259 KB

english, 1975

The nature of the metalmetal interaction in tetra-μ-carboxylatochromium(II) systems

Journal:

Martyn F. Guest, Ian H. Hillier, C. David Garner

Année:

1976

Langue:

english

Fichier:

PDF, 395 KB

english, 1976

Correlation effects and the nature of the metalmetal bond in DI-chromium and DI-molybdenum complexes

Journal:

Stephen Wilson, Martyn F. Guest

Année:

1977

Langue:

english

Fichier:

PDF, 245 KB

english, 1977

Effect of basis-set completeness on the relative importance of triply and quadruply excited configurations in correlation energy calculations

Journal:

Martyn F. Guest, David M. Hirst

Année:

1980

Langue:

english

Fichier:

PDF, 468 KB

english, 1980

Potential energy curves for the ground and excited states of alh+

Journal:

Richard E. Overill, Martyn F. Guest

Année:

1981

Langue:

english

Fichier:

PDF, 394 KB

english, 1981

The orbital diamagnetic contribution to nuclear spin—spin coupling constants in the first- and second-row hydrides: An AB initio study

Journal:

Susan A. Pope, Ian H. Hillier, Martyn F. Guest, John Kendric

Année:

1983

Langue:

english

Fichier:

PDF, 321 KB

english, 1983

The structure and stability of the dications, XH2+itn(X = N, O, P, S)

Journal:

Peter C. Ford, Ian H. Hillier, Susan A. Pope, Martyn F. Guest

Année:

1983

Langue:

english

Fichier:

PDF, 270 KB

english, 1983

Configuration interaction calculations of the O1s satellite spectrum of Cr(CO)6

Journal:

Susan A. Pope, Lan H. Hillier, Martyn F. Guest

Année:

1983

Langue:

english

Fichier:

PDF, 308 KB

english, 1983

On the structure and stability of the isomers of [CSH3]+

Journal:

David A. Taylor, Ian H. Hillier, Mark Vincent, Martyn F. Guest, Alastair A. MacDowell, Wolfgang von Niessen, David S. Urch

Année:

1984

Langue:

english

Fichier:

PDF, 407 KB

english, 1984

The valence ionization energies of Ni(CN)42- studied by X-ray emission spectroscopy and by an ab initio green's function calculation

Journal:

Neil A. Burton, Ian H. Hillier, Martyn F. Guest, John Kendrick

Année:

1985

Langue:

english

Fichier:

PDF, 228 KB

english, 1985

Pseudopotential calculations of the geometry and ionization energies of palladium(II) acetylacetonate

Journal:

Année:

1989

Langue:

english

Fichier:

PDF, 327 KB

english, 1989

The methyl, silyl and germyl esters of the pseudo-halogen acids. A comparison of structural data from experimental and ab initio studies

Journal:

Année:

1992

Langue:

english

Fichier:

PDF, 605 KB

english, 1992

Assignment of the UV—photoelectron spectra of cyclobutene and its syn- and anti-dimers

Journal of Molecular Structure

Journal:

Année:

1987

Langue:

english

Fichier:

PDF, 709 KB

english, 1987

Theoretical studies of inorganic and organometallic reaction mechanisms. 8. Hydrogen exchange in the β-agostic ethylene complex of cyclopentadienyl rhodium

Zhenyang Lin, Michael B. Hall, Martyn F. Guest, Paul Sherwood

Journal:

Journal of Organometallic Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 708 KB

english, 1994

Satellite structure in the 1s photoelectron spectra of CH4, NH3 and H2O, calculated by ab initio methods

David Moncrieff, Ian H. Hillier, Susan A. Pope, Martyn F. Guest

Journal:

Année:

1983

Langue:

english

Fichier:

PDF, 385 KB

english, 1983

Electronically excited states of disulphur dinitride (S2N2) and its conversion to the metallic polymer (SN)x

Journal:

Stephen Smith, Ian H. Hillier, Wolfgang von Niessen, Martyn F. Guest

Année:

1986

Langue:

english

Fichier:

PDF, 584 KB

english, 1986

Calculation of the valence ionization energies of Ni(CO)4 and Cr(NO)4

Journal:

Michael H. Palmer, Isobel C. Walker, Martyn F. Guest, Andrew Hopkirk

Année:

1989

Langue:

english

Fichier:

PDF, 411 KB

english, 1989

The electronic states of the azines. III. Pyrimidine, studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration calculations

Journal:

Michael H. Palmer, Isobel C. Walker, Martyn F. Guest, Michele R.F. Siggel

Année:

1990

Langue:

english

Fichier:

PDF, 1.23 MB

english, 1990

The electronic states of the azines. VII. 1,2,4-triazine, studied by photon absorption, near-threshold electron energy loss spectroscopy and ab initio multi-reference configuration interaction calculations

Journal:

David T. Clark, Benjamin J. Cromarty, Antonio Sgamellotti, Martyn F. Guest

Année:

1995

Langue:

english

Fichier:

PDF, 670 KB

english, 1995

A theoretical investigation of the core ionized states of the simple carbenes, CH2, CHF and CF2

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Année:

1979

Langue:

english

Fichier:

PDF, 872 KB

english, 1979

The electronic states of isoxazole studied by VUV absorption, electron energy-loss spectroscopies and ab initio multi-reference configuration interaction calculations

Isobel C Walker, Michael H Palmer, Jacques Delwiche, Søren V Hoffmann, P.Limão Vieora, Nigel J Mason, Martyn F Guest, Marie-Jeanne Hubin-Franskin, J Heinesch, A Giuliani

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2004

Langue:

english

Fichier:

PDF, 351 KB

english, 2004

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

Paul Sherwood, Alex H. de Vries, Martyn F. Guest, Georg Schreckenbach, C.Richard A. Catlow, Samuel A. French, Alexey A. Sokol, Stefan T. Bromley, Walter Thiel, Alex J. Turner, Salomon Billeter, Frank

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 680 KB

english, 2003

The electronic states and molecular properties of 1,2,3-triazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies

Michael H Palmer, Hamish McNab, Isobel C Walker, Martyn F Guest, Michael MacDonald, Michelle R.F Siggel

Journal:

Michael H. Palmer, Isobel C. Walker, Martyn F. Guest

Année:

1998

Langue:

english

Fichier:

PDF, 302 KB

english, 1998

The electronic states of thiophene studied by optical (VUV) absorption, near-threshold electron energy-loss (EEL) spectroscopy and ab initio multi-reference configuration interaction calculations

Journal:

Martyn F. Guest, Robert J. Harrison, Johan H. Lenthe, Lambertus C. H. Corler

Année:

1999

Langue:

english

Fichier:

PDF, 276 KB

english, 1999

Computational chemistry on the FPS-X64 scientific computers

Journal:

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

Année:

1987

Langue:

english

Fichier:

PDF, 1.84 MB

english, 1987

Triple and quadruple excitations and the valence correlation energies of small molecules

Martyn F. Guest, Stephen Wilson

Journal:

Martyn F. Guest, David M. Hirst

Année:

1980

Langue:

english

Fichier:

PDF, 311 KB

english, 1980

The potential energy curves of BH+

Journal:

David L. Clark, Jennifer C. Green, Catherine M. Redfern, Geoffrey E. Quelch, Ian H. Hillier, Martyn F. Guest

Année:

1981

Langue:

english

Fichier:

PDF, 353 KB

english, 1981

An experimental and theoretical study of the ionization energies of Ru2(O2CCF3)4 and Ru2(O2CCF3)4(NO)2

Journal:

Stephen A. Jarrett-Sprague, Ian H. Hillier, Neil A. Burton, Martyn F. Guest

Année:

1989

Langue:

english

Fichier:

PDF, 327 KB

english, 1989

Pseudopotential calculations of the structure and harmonic frequencies of HSbO3 and HAsO3

Journal:

Michael H. Palmer, Isobel C. Walker, Charles C. Ballard, Martyn F. Guest

Année:

1990

Langue:

english

Fichier:

PDF, 254 KB

english, 1990

The electronic states of furan studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction calculations

Journal:

Année:

1995

Langue:

english

Fichier:

PDF, 1009 KB

english, 1995

Assignment of the electronic states of pyrazole by ab initio multi-reference configuration interaction calculations

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 319 KB

english, 2003

The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies

Michael H. Palmer, Hamish McNab, David Reed, Anne Pollacchi, Isobel C. Walker, Martyn F. Guest, Michele R.F. Siggel

Journal:

Michael H. Palmer, Isobel C. Walker, Martyn F. Guest

Année:

1997

Langue:

english

Fichier:

PDF, 1.34 MB

english, 1997

The electronic states of pyrrole studied by optical (VUV) absorption, near-threshold electron energy-loss (EEL) spectroscopy and ab initio multi-reference configuration interaction calculations

Journal:

Hirst, David M., Guest, Martyn F., Rendell, Alistair P.

Année:

1998

Langue:

english

Fichier:

PDF, 257 KB

english, 1998

Ab initio potential-energy curves for the molecular ions NeH + and ArH +

Journal:

Garner, C. D., Hawksworth, Roger W., Hillier, Ian H., MacDowell, Alistair A., Guest, Martyn F.

Année:

1992

Langue:

english

Fichier:

PDF, 694 KB

english, 1992

Electronic structure of the transition-metal nitrates titanium tetranitrate, vanadyl trinitrate, cobalt trinitrate, and copper dinitrate. Studied by low-energy photoelectron spectroscopy and ab initio molecular orbital and scattered wave-X.alpha. calculations

Journal:

Journal of the American Chemical Society

Année:

1980

Langue:

english

Fichier:

PDF, 1.07 MB

english, 1980

One-Year Outcomes in Survivors of the Acute Respiratory Distress Syndrome

Herridge, Margaret S., Cheung, Angela M., Tansey, Catherine M., Matte-Martyn, Andrea, Diaz-Granados, Natalia, Al-Saidi, Fatma, Cooper, Andrew B., Guest, Cameron B., Mazer, C. David, Mehta, Sangeeta, S

Journal:

Boston Medical and Surgical Journal

Année:

2003

Langue:

english

Fichier:

PDF, 126 KB

english, 2003

The electronically excited and ionic states of sulphur dioxide: an ab initio molecular orbital CI study and comparison with spectral data

Palmer *, Michael H., Shaw, David A., Guest, Martyn F.

Journal:

Guest *, Martyn F., Bush, Ian J., Van Dam, Huub J. J., Sherwood, Paul, Thomas, Jens M. H., Van Lenthe, Joop H., Havenith, Remco W. A., Kendrick, John

Année:

2005

Langue:

english

Fichier:

PDF, 484 KB

english, 2005

The GAMESS-UK electronic structure package: algorithms, developments and applications

Journal:

Hirst, David M., Guest, Martyn F.

Année:

2005

Langue:

english

Fichier:

PDF, 943 KB

english, 2005

Ab initio potential energy curves for SH

Journal: