1. Molecular Core Binding Energies for Some
Transition Metal Carbonyls and Cyclopentadienyls as Determined by X-ray
Photoelectron Spectroscopy.
D. T. Clark, and D. B. Adams, Chem. Comm.
1971, 74.
2. Molecular
Core Binding Energies and Multiplet Splitting in Cr(C0)6
Cr(C5H5)2 and Cr(hfa)3 as
determined by X-ray Photoelectron Spectroscopy.
D.
T. Clark and D. B. Adams, Chem. Phys. Lett., 1971, 10, 121
3. X-ray
Photoelectron Studies of Pt and Pd Complexes. Observations of the
Trans Influence and Distinction Between Terminal and Bridging
Chlorine.
D. T. Clark, D. B. Adams and D. Briggs, Chem. Comm., 1971, 602.
4. X-ray
Photoelectron Spectra of Uranium (VI) Complexes of 8-
Hydroxyquinoline.
D. B. Adams, D. T. Clark, A. D. Baker and M.
Thompson, Chem. Comm., 1971, 1600.
5. Some
New Experimental and Theoretical Considerations of Structure and
Bonding in Sulphur Nitrogen Heterocycles.
D. B. Adams, A. J. Banister, D. T. Clark and D. Kilcast, Int. J.
Sulphur Chem., 1971, 1, 143.
6. Halogenated
Methanes. Equivalent Core and Charge Potential Models for
Interpreting Core Binding Shifts.
D. T. Clark and D. B. Adams, Nature (Phys., Sci.), 1971, 234,
95.
7. Electrocyclic
Ring Opening of Cyclopropyl Radical.
D. T. Clark and D. B. Adams, Nature (Phys. Sci.), 1971, 233,
121.
8. Charge
Distributions in Aromatic Hydrocarbons and their Perfluoro Analogues
as determined by ESCA.
D. T. Clark, D. B. Adams and D. Kilcast, Chem. Phys. Lett.,
1972, 13, 439.
9. Ab
Initio Molecular Orbital Calculations on ESCA Chemical Shifts
Using the Equivalent Cores Method.
D. T. Clark and D. B. Adams, J. Chem. Soc. Faraday Trans. II,
1972, 68, 1918.
10. Orientation
of Nucleophilic Substitution in Perfluoroindene by ESCA.
D. B. Adams, D. T. Clark, W. J. Feast, D. Kilcast, W. K. R.
Musgrave and W. E. Preston, Nature (Phys. Sci.), 1972, 239, 47.
11. Structure
and Bonding in Halogenated Organic Molecules as Revealed by ESCA. D.
T. Clark, D. Kilcast and D. B. Adams, Faraday Discussions of the
Chem. Soc. 1972, 54, 182.
12. On
the Core and Valence Energy Levels of Fluorobenzene.
D. T. Clark, D. Kilcast, D. B. Adams and I. W. Scanlan, J.
Electron Spectroscopy. 1972/3. 1, 153.
13. An
ESCA Study of the Molecular Core Binding Energies of the
Fluorobenzenes, D. T. Clark, D. Kilcast, D. B. Adams, and W. K. R.
Musgrave, J. Electron Spectroscopy, 1972/3, 1, 227.
14. Interpretation
of ESCA Chemical Shifts Using Minimal Slater Basis Set Calculations.
D. T. Clark and D. B. Adams, J. Electron Spectrosc. 1972/3, 1,
302.
15. Charge
Distributions in Dodecafluorotricyclo (5.2.2.02,6)
undeca-2,5,8- triene and
Tetradecafluorotri-cyclo(6.2.2.02,7)doceca-2,6,9-triene as
Determined by ESCA.
D. T. Clark, W. J. Feast, D. Kilcast, D. B. Adams and W. E.
Preston, J. Fluorine Chem., 1972/73, 2, 199.
16. ESCA
Studies of Square Planar Platinum Complexes; Correlations with NQR
Studies.
D. T. Clark, D. Briggs and D. B. Adams, J. Chem. Soc. Dalton
Trans., 1973, 169.
17. Ab
Initio Calculations of Core Electron Binding Energies and Shifts
in Halomethanes.
D. B. Adams and D. T. Clark, Theor. Chim. Acta, 1973., 31, 171.
18. Model
Potential Energy Surfaces for Approach of an Electrophile to
Acetylene and Fluoroacetylene.
D. T. Clark and D. B. Adams, Tetrahedron, 1973, 29, 1887.
19. Estimation
of Core Electron Binding Energies for Free Atoms using the Equivalent
Cores Approximation: Double Zeta Calculations.
D. B. Adams, J. Electron Spectroscopy, 1974, 4, 72.
20. Structure
and Bonding in Diazocyclopentadiene and some of its Core and Valence
Ionized States.
D. T. Clark, D. B. Adams, I. W. Scanlan and I. S. Woolsey, Chem.
Phys. Lett., 1974, 25, 263.
21. Non
Empirical LCAO SCF MO Investigations of Electronic Reorganizations
Accompanying Core Ionizations.
D. T. Clark, I. Scanlan, J. Muller and D. B. Adams., Proceedings
of SRC Atlas Symposium, No. 4, Oxford 1974, Publ. 1975.
22. An
ESCA Study of the Molecular Core Binding Energies of the
Chlorobenzenes.
D. T. Clark, D. Kilcast, D. B. Adams and W.
K. R. Musgrave, J. Electron Spectrosc., 1975, 6, 117.
23. An
ESCA Study of the Fluoride Ion Induced Trimerization Product Derived
from Perfluorocyclobutene.
D. T. Clark, R. D. Chambers and D. B. Adams, J. Chem. Soc.
Perkin I, 1975, 647.
24. Shake-up
Phenomena in Some Unsaturated Fluorocarbons.
D. T. Clark and D. B. Adams, Theor. Chim. Acta, 1975, 39, 321.
25. Some
Aspects of Shake-up Phenomena in Pyridine and Perfluoropyridine.
D. T. Clark and D. B. Adams, J. Electron Spectrosc., 1975, 7,
401.
26. An
Ab Initio Study of Some Phenomena Associated with Core
Electron Ionization.
D. B. Adams, J. Chem. Soc. Faraday Trans. II,
1976, 72, 383.
27. Some
Aspects of Shake-up Phenomena in Some Simple Polymer Systems.
D. T. Clark, D. B. Adams, A. Dilks, J. M. Peeling and H. R.
Thomas, J. Electron Spectrosc., 1976, 8, 51.
28. Estimates
of Energies of Core Exchange.
D. B. Adams, J. Electron Spectrosc., 1976,
9, 251.
29. Ab
initio Study of Core Auger and Core Electron Binding Energy
Shifts in some Chlorine-containing systems. D. B. Adams, J. Electron Spectrosc., 1977,
46, 220.
30. Ab
initio calculations concerning core Auger shifts in some silicon
compounds.
D.B. Adams. J. Chem. Soc., Faraday II, 1977, 73, 991.
31. The
correlation of core replacement energies with non-bonding s- electron
density.
W.L. Jolly, C. Gin and D.B. Adams. Chem. Phys. Lett., 1977, 46,
220.
32. A
CNDO/2 study of and
relaxation energies and core electron binding energy shifts in some
simple molecules.
D.B. Adams. J. Electron Spectrosc., 1978, 13, 123.
33. Isatogens:
crystal structure, electron density calculations and 13C
nuclear magnetic resonance.
D.B. Adams, M. Hooper, C.J. Swain, E.S. Raper and B. Stoddart.
J. Chem. Soc. Perkin Trans. I, 1986, 1005-1010.
34. MNDO
calculations and the non-planarity of arylamino groups.
D.B. Adams, J. Chem. Soc. Perkin Trans. II 1987, 247-248.
35. Biphenylenes
and Heterocyclic Anaolgues of Biphenylene. Part 7. Preparation of
Hexafluoro-1,8-diazabiphenylene and comparison of the site of
nucleophilic substitution with frontier orbital predictions.
D.B. Adams, J.P. Kilcoyne, J.A.H. MacBride, and M. Muir. J.
Chem. Research (S) 1990, 172-173. J. Chem. Research (M) 1990,
1301-1333.
36. Isatogens:
Further Studies of Crystal Structure, Electron Density, and 13C
and 15N NMR Spectra.
D. B. Adams, M. Hooper, A. G. Morpeth, E. S. Raper, W. Clegg, B.
Stoddart. J. Chem. Soc. Perkin Trans. 2 1990, 1269-1274
37. Geometry
Changes of Aryl Amino Groups Resulting from Changes in Electron
Withdrawal: an ab initio Molecular Orbital Study.
D. B.
Adams. J. Chem. Soc. Perkin Trans 2, 1993, 567-571
38. The
equivalent cores approximation: an ab initio study of nuclear
relaxation energies and charge distributions.
D. B.
Adams. J. Electron Spectrosc. 1993, 61, 241-249
39. Full
geometry optimizations of core ionized species and their equivalent
core ions: an ab initio study of energies, geometries, charges and
vibrational frequencies.
D. B. Adams.
J. Electron Spectrosc. 1994, 69, 117-124
Educational
Using QM Web in Chemistry
Teaching, D. B. Adams, Computers and
Chemistry Education (ISSN 0964-0525), February 1998, 17, 3-4
Talks and Presentations
3 July 1996, A
virtual presentation, “Web Tests” for TLTP for
Chemistry V, CTI Centre for
Chemistry, University of Liverpool
3 & 4 Sept.
1996, Software presentation, "Interactive Tests and Tutorials
using the World Wide Web", Variety in
Chemistry Teaching, Royal Society of Chemistry (Education Division), University of
York
18 Dec.
1996, Interactive Tests and Tutorials Using the World Wide Web, CTI Centre for
Chemistry, University of
Liverpool
12 March
1997, "Question Mark on the Web", Scotish Business
Education Group Meeting, Assessment and
Technology, Napier University
13 March 1997, "The use of QM Web for the Production and Marking
of Interactive Tests and Tutorials", Centre for
Teaching and Learning Innovation,
Glasgow
Caledonian University
18 June
1997, "Using QM Web for Assessment", 1st
Annual Computer Assisted Assessment Conference: The Use of the
World Wide Web in Assessment,
Loughborough
University
3 July 1997, "Use
of the World Wide Web for Teaching, Learning and Assessment", 4th
Annual Teaching and Learning Conference, University of Sunderland
8 & 9
Sept.1997, Software Presentation, "Use of the World Wide Web for
the Submission and Marking of Laboratory Work", Variety in
Chemistry Teaching,
Royal Society
of Chemistry (Education Division), University of
York