M. Palmer

发表

Synthesis, microwave spectra, x-ray structure, and high-level theoretical calculations for formamidinium formate.

A. Slawin, Honghao Wang, R. Aitken, 2019, The Journal of chemical physics.

Molecular Structure of Cyclopropyl (Isocyanato) Silane: A Combined Microwave Spectral and Theoretical Study.

Nathan A. Seifert, G. Guirgis, B. Pate, 2015, The journal of physical chemistry. A.

Molecular structure of methyldifluoroisocyanato silane: a combined microwave spectral and theoretical study.

Nathan A. Seifert, D. Obenchain, G. Guirgis, 2012, The journal of physical chemistry. A.

The molecular structure of difluoroisocyanato silane: A combined microwave spectral and theoretical study

D. Obenchain, G. Guirgis, S. Peebles, 2010 .

The rotational spectrum and theoretical study of a dinuclear complex, MnRe(CO)(10).

M. Guest, C. Tanjaroon, S. Kukolich, 2004, The Journal of chemical physics.

The 1,2,4-triazine 14N quadrupole coupling constants, as derived from a joint study by microwave spectroscopy and ab initio calculations at the equilibrium geometry

M. Palmer, D. Christen, 2002 .

Acronyms used in theoretical chemistry

R. Brown, J. E. Boggs, R. Hilderbrandt, 1996 .

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

M. Guest, M. Macdonald, H. Mcnab, 1998 .

Assignment of the electronic spectrum of allene by a theoretical configuration interaction approach

M. Palmer, 2006 .

Deviations from idealised geometries part 3: approximately tetrahedral molecules of form MX2Y2 studied by SCF and MP2 calculations

M. Palmer, 1997 .

DEVIATIONS FROM IDEALISED GEOMETRIES. PART 4 : APPROXIMATELY TETRAHEDRAL MOLECULES OF FORM MX2Y2 STUDIED BY SCF AND MP2 LOCALISED ORBITAL CALCULATIONS

M. Palmer, 1997 .

An ab initio molecular orbital study of the electronically excited and cationic states of the ozone molecule and a comparison with spectral data

M. Palmer, Alistair D. Nelson, 2002 .

Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations.

S. Hoffmann, M. Biczysko, M. Coreno, 2015, The Journal of chemical physics.

The electronically excited states of cyclooctatetraene-An analysis of the vacuum ultraviolet absorption spectrum by ab initio configuration interaction methods.

S. Hoffmann, M. Coreno, C. Grazioli, 2019, The Journal of chemical physics.

Assignment of the UV—photoelectron and low energy electronic spectrum of cycloocta-1,3,5,7-tetraene

M. Palmer, 1988 .

An ab initio study of the structure, tautomerism and molecular properties of the C- and N-amino-1,2,4-triazoles

M. Palmer, D. Christen, 2004 .

Ab Initio molecular orbital calculations

M. Palmer, Antony J. Gaskell, 1971 .

Measurement of the 14N quadrupole coupling constants in glycine, diglycine, triglycine, and tetraglycine and a comparison with calculation

S. R. Rabbani, P. Gosling, M. Palmer, 1987 .

The electronic states of buta-1,3-diene studied by ab initio configuration interaction and DFT methods, and electron energy loss spectroscopy

M. Palmer, I. Walker, 2010 .

The equilibrium molecular structures of cross-conjugated alkenes with particular reference to [3]- and [4]-dendralene from ab initio studies of various conformers

J. Blair-Fish, P. Sherwood, M. Palmer, 1997 .

Theoretical study on the excited and ionized states of titanium tetrachloride

H. Nakatsuji, M. Ehara, M. Guest, 1992 .

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

M. Palmer, I. Walker, 1991 .

The electronic structure of substituted benzenes; AB initio calculations and photoelectron spectra for the methyl- and fluoro-benzenes and fluorotoluenes

M. Palmer, William Moyes, Martin Spiers, 1978 .

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

M. Guest, M. Palmer, I. Walker, 1999 .

The structures of the azido-, isocyanato- and isothiocyanato-derivatives of germane, stannane and plumbane and their trimethyl derivatives: a comparison of ab initio results with experiment, and with the methane and silane analogs

M. Palmer, 2004 .

Chemical repercussions of orbital interactions through bond and through space. The reactivity of the double bond in unsaturated cyclic sulphones towards aziridine formation and epoxidation

R. Aitken, M. Palmer, J. Cadogan, 1984 .

The electronic structures of phosphorus sulphide (P4S4) and arsenic sulphide (As4S4), and a comparison with sulphur nitride (N4 S4)

R. Findlay, M. Palmer, 1983 .

The effects of fluorine and chlorine substitution on bond lengths in ethanes and disilanes: comparisons of ab initio and experimental information

D. C. Mckean, M. Palmer, B. Fodi, 2000 .

Electronic charge distribution and moments of five- and six-membered heterocycles

R. Findlay, M. Palmer, Antony J. Gaskell, 1974 .

The molecular and electronic structures of the halogen pseudohalides, a comparison of ab initio and DFT calculated structural and vibrational results with spectroscopic data

M. Palmer, Alistair D. Nelson, 2006 .

The molecular properties of the halogen pseudohalides studied by both ab initio and DFT methods

M. Palmer, Alistair D. Nelson, 2006 .

Electronic structure of the sulfur nitrides. Ab initio calculations and photoelectron spectra

R. Egdell, A. J. Downs, R. Findlay, 1980 .

The electronic states of 1,2,3-triazole studied by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy, and a comparison with ab initio configuration interaction methods.

Ashley R. Head, S. Hoffmann, D. Lichtenberger, 2011, The Journal of chemical physics.

The electronic states of 1,2,5-oxadiazole studied by VUV absorption spectroscopy and CI, CCSD(T) and DFT methods

M. Palmer, 2009 .

Molecular Structure of 1-Isocyano-1-silacyclopent-3-ene: A Combined Microwave Spectral and Theoretical Study.

G. Guirgis, B. Pate, M. Palmer, 2019, The journal of physical chemistry. A.

A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene.

S. Hoffmann, M. Biczysko, M. Coreno, 2017, The Journal of chemical physics.

The vacuum ultraviolet spectrum of cyclohepta-1, 3, 5-triene: Analysis of the singlet and triplet excited states by ab initio and density functional methods.

S. Hoffmann, M. Coreno, C. Grazioli, 2020, The Journal of chemical physics.

The photoelectron spectra of the isomeric 1- and 2-methyltetrazoles; their equilibrium structures and vibrational analysis by ab initio calculations.

S. Hoffmann, M. Coreno, C. Grazioli, 2018, The Journal of chemical physics.

The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations.

S. Hoffmann, M. Biczysko, M. Coreno, 2017, The Journal of chemical physics.

A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene.

S. Hoffmann, M. Biczysko, M. Coreno, 2017, The Journal of chemical physics.

Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene.

M. Biczysko, M. Coreno, C. Grazioli, 2016, The Journal of chemical physics.

The electronic states of pyridine-N-oxide studied by VUV photoabsorption and ab initio configuration interaction computations.

S. Hoffmann, D. Lichtenberger, N. Jones, 2013, The Journal of chemical physics.

Comparison of theoretical and experimental studies of infrared and microwave spectral data for 5- and 6-membered ring heterocycles: The rotation constants, centrifugal distortion and vibration rotation constants

R. W. Larsen, F. Hegelund, M. Palmer, 2008 .

The vibrational spectrum of thiazole between 600 and 1400 cm−1 revisited: A combined high-resolution infrared and theoretical study

R. W. Larsen, F. Hegelund, M. Palmer, 2007 .

Comparison of theoretical and experimental studies of infrared spectral data for the 5-membered ring heterocycles

M. Palmer, 2007 .

The nuclear quadrupole coupling of the halogen pseudohalides: A comparison of ab initio and DFT studies with spectroscopic data

M. Palmer, Alistair D. Nelson, 2007 .

High-resolution infrared and theoretical study of gaseous oxazole in the 600–1400 cm−1 region

R. W. Larsen, F. Hegelund, M. Palmer, 2007 .

High-resolution infrared and theoretical study of gaseous 1,2,5-selenadiazole in the 600-1400 cm-1 range

R. W. Larsen, F. Hegelund, R. Aitken, 2006 .

The electronic structure of hepta-sulphur hexa-imide in its ground and ionised states by ab initio molecular orbital calculations

R. Findlay, M. Palmer, 1983 .

Ab initio molecular orbital studies of closed shell flavins

R. Platenkamp, M. Palmer, A. Visser, 1987, European Biophysics Journal.

The electronic structure of some heterocycles with bridgehead nitrogen: photoelectron spectra and ab initio molecular orbital calculations

R. Egdell, M. Palmer, R. Millar, 1977 .

Photoelectron and ab initio configuration interaction studies of (NSF)3 and (NSF)4; Trends, and geometric and electronic structures in the (NSF)x(x = 1, 2, 3, and 4) series

N. Westwood, M. Palmer, R. T. Oakley, 1989 .

The electronic structure and bonding in polythiazyl, (SN)x: Part I. A study by ab initio molecular orbital methods of (SN)x with x = 1—6 and x = 10

R. Findlay, M. Palmer, 1983 .

Structural and Vibrational Properties of Iodopentafluorobenzene: A Combined Raman and Infrared Spectral and Theoretical Study.

M. Biczysko, K. Peterson, M. Palmer, 2017, The journal of physical chemistry. A.

The singlet electronic states of pyrrole: a theoretical study by both ab initio multi-reference configuration interaction methods and time-dependent density functional theory and a reconsideration of the experimental VUV spectral data

M. Palmer, P. Wilson, 2003 .

Deviations from idealised geometry: a comparison of microwave and electron diffraction data with ab initio calculations: Part I. Nitriles

M. Palmer, 1989 .

Rearrangement during cyclisation of some 3-(2-pyrrolyl) propionic acids and related compounds

M. Palmer, D. Leitch, C. Greenhalgh, 1978 .

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

M. Guest, H. Mcnab, M. Palmer, 1997 .

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

I. C. Walker, A. Hopkirk, M. Palmer, 1990 .

A re-interpretation of the UV-photoelectron spectra of dewar benzene, norbornadiene and barrelene by ab initio configuration interaction calculations

M. Palmer, 1987 .

Experimental and theoretical molecular and electronic structures of the N -oxides of pyridazine, pyrimidine and pyrazine

A. Slawin, Jing Yang, R. Aitken, 2012 .

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

S. Hoffmann, N. Mason, M. Guest, 2004 .

VUV optical-absorption and near-threshold electron energy-loss spectra of pyrazole

M. Palmer, M. Hubin-franskin, J. Delwiche, 2003 .

The mass spectra of sydnones

M. Palmer, P. N. Preston, R. S. Goudie, 1969 .

Reactivity of indazoles and benzotriazole towards N-methylation and analysis of the 1H nuclear magnetic resonance spectra of indazoles and benzotriazoles

R. Findlay, M. Palmer, P. Mcintyre, 1975 .

14N nuclear quadrupole coupling in solid cinnolin-4-ones. A study by nuclear quadrupole resonance, x-ray crystallography and ab initio calculations

A. Blake, M. Palmer, R. Gould, 1987 .

Alkylation of nitrogen heterocycles—II

M. Palmer, P. Mcintyre, 1971 .

Alkylation of nitrogen heterocycles—II : Semi-empirical calculations of the electron distribution in cinnolines

M. Palmer, P. Mcintyre, A. J. Gaskell, 1971 .

The structure and reactions of heterocyclic compounds

M. Palmer, 1967 .

The electronic structure of aromatic molecules: ab inito molecular orbital studies and photoelectron spectra for the aza-derivatives of indole, benzofuran and benzothiophen

M. Palmer, S. Kennedy, 1978 .

The vacuum ultraviolet absorption spectrum of norbornadiene: Vibrational analysis of the singlet and triplet valence states of norbornadiene by configuration interaction and density functional calculations.

S. Hoffmann, M. Coreno, C. Grazioli, 2021, The Journal of chemical physics.

Chemical repercussions of orbital interactions through bond and through space. Effect of remote substituents on the addition of nitrenes to bicyclic olefins

R. Aitken, M. Palmer, J. Cadogan, 1985 .

The electronic structure of heteroaromatic molecules; ab initio calculations and photoelectron spectra for the isomeric-oxazoles and some -oxadiazoles

R. Egdell, R. Findlay, M. Palmer, 1977 .

The mass spectra of cinnolines and their N‐oxides

M. Palmer, W. A. Wolstenholme, E. R. Russell, 1969 .

The electron distribution in quinoxalin-2-ones and 2,3-diones; a study by NQR and ab initio calculations

M. Palmer, J. Cobb, Jack A. Smith, 1993 .

Structure and bonding in 2-methyl-cinnolin-3-one. A study by X-ray crystallography, 14N nuclear quadrupole resonance and ab initio calculations

A. J. Blake, A. Blake, John A. S. Smith, 1992 .

14N nuclear quadrupole coupling in amides: Ab initio studies of formamide and acetamide and a comparison with microwave and NQR data

M. Palmer, 1988 .

14N nuclear quadrupole coupling in cyclic amides and thioamides. Ab initio simulations of the solid state environment as interpretation of the NQR spectra of 2-pyridinone, isatin and benzothiazole-2-one. A new x-ray structure for isatin

A. J. Blake, A. Blake, M. Palmer, 1987 .

A theoretical and experimental study of 14n quadrupole coupling in maleic hydrazide

M. Palmer, D. Stephenson, J. A. Smith, 1986 .

14N Quadrupole coupling tensors in solid pyrazole, 1H-1,2,4-triazole, and 1H-tetrazole: Theory and experiment

John A. S. Smith, M. Palmer, D. Stephenson, 1985 .

Calculation of the 14N and 2H quadrupole coupling tensor in trimeric imidazole

John A. S. Smith, M. Palmer, Fiona E. Scott, 1983 .

Ab initio molecular orbital calculations

M. Palmer, M. Barber, Michael H. Palmer, 1972 .

Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations.

S. Hoffmann, M. Biczysko, M. Coreno, 2015, The Journal of chemical physics.

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

M. Guest, M. Palmer, 1986 .

A theoretical study of the staggered and eclipsed forms of the dinuclear complex Mn Re(CO)10.

C. Tanjaroon, S. Kukolich, Kristen S Keck, 2004, The Journal of chemical physics.

The molecular energy levels of the azoles: A study by photoelectron spectroscopy and ab initio molecular orbital calculations

R. Findlay, M. Palmer, S. Cradock, 1973 .

Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation

W. Jones, S. Harris, M. Palmer, 1997 .

The molecular and electronic structure of homoaromatic compounds: cis,cis,cis-cyclonona-1,4,7-triene and 1,4,7-trioxonin; a study by photoelectron spectroscopy and ab initio molecular orbital methods

M. Palmer, J. D. Nisbet, 1980 .

An ab initio study of vibration and rotation effects in isocyanatomethane, isothiocyanatomethane and azidomethane

M. Palmer, P. Camp, 2003 .

Vaporization of (SN)x. He I photoelectron spectrum and ab initio calculations for the S3N3 radical

N. Westwood, W. Lau, M. Palmer, 1986 .

The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations.

S. Hoffmann, M. Biczysko, M. Coreno, 2015, The Journal of chemical physics.

The electronic states of 1,2,4-triazoles: a study of 1H- and 1-methyl-1,2,4-triazole by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy and a comparison with ab initio configuration interaction computations.

Ashley R. Head, S. Hoffmann, D. Lichtenberger, 2012, The Journal of chemical physics.

The mass spectra of s-triazines

M. Stevens, W. Steedman, M. Palmer, 1970 .

The structures of the azido-, isocyanato- and isothiocyanato- derivatives of methane and silane and their derivatives. A comparison of ab initio with experimental results

M. Palmer, Alistair D. Nelson, 2003 .

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

M. Guest, M. Palmer, 1992 .

Assignment of the UV photoelectron spectra of the azoles by Ab initio multi-reference configuration interaction calculations

M. Palmer, A. Beveridge, 1987 .

Gas-Phase Tautomerism in the Triazoles and Tetrazoles: A Study by Photoelectron Spectroscopy and ab Initio Molecular Orbital Calculations

M. Palmer, I. Simpson, J. Wheeler, 1981 .

Nitrogen-14 quadrupole double resonance in some substituted hydroxamic acids

John A. S. Smith, M. Palmer, T. Rayner, 1989 .

The Calculation of Electric Field Gradients by ab initio Methods, and Their Relationship to Experimental Nuclear Quadrupole Coupling Constants

M. Palmer, 2005 .

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

M. Guest, M. Palmer, 2003 .

The electronic structure of some sulphur-containing heterocycles

R. Findlay, M. Palmer, 1972 .

The electronic states of chlorine oxide (Cl2O) studied by ab initio configuration interaction methods and spectroscopy

M. Palmer, Alistair D. Nelson, 2008 .

The valence and Rydberg states of difluoromethane: A combined experimental vacuum ultraviolet spectrum absorption and theoretical study by ab initio configuration interaction and density functional computations.

M. Coreno, C. Grazioli, N. Jones, 2018, The Journal of chemical physics.

The electronic states of oxazole studied by VUV absorption and electron energy-loss (EEL) spectroscopies, and ab initio configuration interaction methods

G. Ganzenmüller, M. Palmer, I. Walker, 2007 .

492. The lactonisation of olefinic acids: the use of sulphuric and trifluoroacetic acids

M. Palmer, M. Ansell, 1963 .

The electronic structure of flavin derivatives: Part I. Ab initio calculations for 1H-alloxazine and 10H-isoalloxazine, their reduced derivatives and related compounds; assignments of photoelectron spectra1

R. Platenkamp, M. Palmer, I. Simpson, 1980 .

The electronic structure of substituted benzenes; a study of aniline, the toluidines, phenylenediamines and fluoroanilines by photoelectron spectroscopy and ab initio calculations

M. Palmer, William Moyes, J. Ridyard, 1979 .

The electronic structure of substituted benzenes; ab initio calculations and photoelectron spectra for phenol, the methyl- and fluoro-derivatives, and the dihydroxybenzenes

M. Palmer, William Moyes, J. Ridyard, 1979 .

Electronic and cationic states of cis-but-2-ene and trans-but-2-ene studied by VUV absorption, near-threshold scattered-electron spectroscopy and ab initio multireference configuration interaction calculations

M. Palmer, I. Walker, A. Beveridge, 1988 .

Electronic and cationic states of 2-methylpropene (isobutene) studied by VUV absorption, scattered electron spectroscopy and AB initio multireference configuration interaction calculations

M. Palmer, I. Walker, A. Beveridge, 1987 .

High-level studies of the ionic states of norbornadiene and quadricyclane, including analysis of new experimental photoelectron spectra by configuration interaction and coupled cluster calculations.

S. Hoffmann, M. Coreno, C. Grazioli, 2020, The Journal of chemical physics.

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

M. Guest, Charles C. Ballard, M. Palmer, 1995 .

Quinolines — a new hydroxymethylation reaction

M. Palmer, P. Mcintyre, 1968 .

The mass spectra of 1,2,4‐triazines and related compounds

M. Stevens, M. Palmer, P. N. Preston, 1971 .

The electronic states of isothiazole studied by VUV absorption spectroscopy and ab initio configuration interaction methods

A. Gordon, M. Palmer, 2008 .

The ionic states of cyclooctatetraene: Analysis of a new experimental photoelectron spectrum by ab initio and density functional methods.

S. Hoffmann, M. Coreno, C. Grazioli, 2019, The Journal of chemical physics.

Ab initio molecular orbital caclulations, the electronic structure and electron spectrum of norbornadiene

R. Findlay, M. Palmer, 1972 .

Deviations from idealised geometry, a comparison of structural data from experimental and ab initio studies Part II. The pseudohalogen acids HNXY

M. Palmer, 1991 .

Microwave spectrum and molecular structure of pentafluorosulfanyliminosulfur difluoride and a comparison with a theoretical equilibrium structure

R. White, M. Palmer, J. Thrasher, 1988 .

The electronic structure of heteroaromatic molecules; non-empirical calculations and photoelectron spectra for the isomeric-thiazoles and -thiadiazoles

R. Findlay, M. Palmer, A. Barrie, 1977 .

The electronic states of but-2-yne studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio configuration interaction methods

M. Palmer, I. Walker, 2007 .

The molecular structure of methylfluoroisocyanato silane: a combined microwave spectral and theoretical study.

Nathan A. Seifert, G. Guirgis, B. Pate, 2015, The journal of physical chemistry. A.

The aromaticity of heterocycles from magnetic susceptibility anisotropy

R. Findlay, M. Palmer, 1974 .

14N Nuclear Quadrupole Coupling in Glycyl-Glycine and Related Peptides

M. Palmer, 1984 .

AB INITIO AND SEMIEMPIRICAL MOLECULAR ORBITAL STUDIES ON CYTOSINE AND N( 4)HYDROXYCYTOSINE

B. Lesyng, M. Palmer, J. S. Kwiatkowski, 1983 .

On the charge distribution in ethanes and disilanes and correlations with equilibrium bond lengths; an ab initio study

M. Palmer, 2000 .

The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New 1H and 13C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods.

S. Hoffmann, M. Coreno, C. Grazioli, 2020, The Journal of chemical physics.

The electronic states of propene studied by electron impact spectroscopy and ab initio configuration interaction calculations

M. Palmer, I. Walker, A. Beveridge, 1986 .

The rotational spectrum and derived structure of 1,2,3-triazine

R. Aitken, M. Palmer, D. Christen, 2019, Journal of Molecular Spectroscopy.

The electronic structure of 6a-thiothiophthen and related molecules: non-empirical calculations and reassignment of the photoelectron spectra

R. Findlay, M. Palmer, 1977 .

The molecular structures and electron distributions of the 1,8-bis-(dimethylamino)-naphthalenes, studied by density functional and ab initio MP2 calculations

A. Gordon, M. Palmer, 2005 .

The high-resolution infrared spectrum of thiophene between 600 and 1200 cm−1: A spectroscopic and theoretical study of the fundamental bands ν6, ν7, ν13, and the c-Coriolis interacting dyad ν5, ν19

R. W. Larsen, F. Hegelund, M. Palmer, 2008 .

High-resolution infrared and theoretical study of four fundamental bands of gaseous 1,3,4-oxadiazole between 800 and 1600 cm−1

R. W. Larsen, F. Hegelund, R. Aitken, 2007 .

SiH stretching frequencies in chlorodisilanes and ab initio calculations of geometry, stretching frequency, vibrational intensity and Mulliken and King effective atomic charges

M. Guest, D. C. Mckean, M. Palmer, 1996 .

Ab Initio Molecular Orbital Studies of the Flavins

R. Platenkamp, M. Palmer, 1979 .

Ab initio M.O. Studies of Flavin Radicals and the Lowest Triplet State of Isoalloxazine

R. Platenkamp, M. Palmer, A. Visser, 1980 .

The electronic states of benzene and the azines. I. The parent compound benzene. Correlation of vacuum UV and electron scattering data with ab initio CI studies

M. Palmer, I. Walker, 1989 .

The electronic structure of the quinonoid bicyclic heterocycles isoindole, benzo[c]furan, benzo[c]thiophen, and 2H-indene

M. Palmer, S. Kennedy, 1976 .

The Ground and Ionised States of S2N2; Ab initio Configuration Interaction Studies of the UV-Photoelectron Spectrum

M. Palmer, 1984 .

Ab initio calculation of the equilibrium structure, quadrupole coupling and second moments for methyl nitrate and nitric acid

M. Palmer, 1990 .

The electronic structure of substituted benzenes: ab initio calculations and photoelectron spectra for benzonitrile, the tolunitriles, fluorobenzonitriles, dicyanobenzenes and ethynylbenzene

M. Palmer, William Moyes, M. Spiers, 1980 .

High-level studies of the singlet states of quadricyclane, including analysis of a new experimental vacuum ultraviolet absorption spectrum by configuration interaction and density functional calculations.

S. Hoffmann, M. Coreno, C. Grazioli, 2023, Journal of Chemical Physics.

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

M. F. Guest, Isobel C. Walker, M. Guest, 1990 .

The electronic states of ethylene up to 10 eV studied by electron impact spectroscopy and ab initio configuration interaction and iterative natural orbital calculations

M. Palmer, I. Walker, A. Beveridge, 1986 .

The ground state of the Fe2 molecule

T. Noro, H. Tatewaki, Charles C. Ballard, 1994 .

The infrared spectrum of isothiazole in the range 600–1500 cm−1, including a high-resolution study of the v 11(A′) band at 818 cm−1 and the v 16(A″) band at 727 cm−1, together with ab initio studies of the full spectrum

F. Hegelund, F. Nicolaisen, R. Aitken, 2004 .

The infrared spectrum of isoxazole in the range 600–1400 cm−l, including a high-resolution study of the v 7(A′) band at 1370.9 cm−1 and the v 16(A″) band at 764.9 cm−l, together with ab initio studies of the full spectrum

F. Hegelund, M. Palmer, R. Wugt Larsen, 2004 .

The high-resolution infrared spectrum of pyrrole between 900 and 1500 cm-1 revisited

R. W. Larsen, F. Hegelund, M. Palmer, 2008 .

High-resolution infrared and theoretical study of the fundamental bands ν6, ν7, ν9 and ν13 of 1,2,3-thiadiazole

R. W. Larsen, F. Hegelund, R. Aitken, 2008 .

High-resolution infrared and theoretical study of the fundamental bands ν2, ν4 and ν9 and the c-Coriolis interacting dyad ν5, ν14 of 1,3,4-thiadiazole

R. W. Larsen, F. Hegelund, R. Aitken, 2008 .

High-resolution infrared analysis of seven fundamental bands of gaseous isothiazole between 750 and 1500 cm -1

R. W. Larsen, F. Hegelund, R. Aitken, 2006 .

A high-resolution infrared study of five bands of 1,2,5-thiadiazole in the range 750–1250 cm−1, together with ab initio and DFT studies

R. W. Larsen, F. Hegelund, R. Aitken, 2005 .

The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm(-1)

R. W. Larsen, F. Hegelund, F. Nicolaisen, 2005 .

Ashley R. Head, S. Hoffmann, D. Lichtenberger, 2012, The Journal of chemical physics.

Assignment of the VUV electronic spectrum of allene

M. Palmer, 2006 .

Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations.

S. Hoffmann, M. Biczysko, M. Coreno, 2015, The Journal of chemical physics.

The molecular energy levels of the azines. Ab initio calculations and the correlation with photoelectron spectroscopy

R. Findlay, M. Palmer, Antony J. Gaskell, 1973 .

The Pfitzinger reaction with unsymmetrical ketones

M. Palmer, P. Mcintyre, 1969 .