John R. Sabin - Publications List
current to 10.10.2008
Publications
- V.V. Albert, J.R. Sabin, and F.E. Harris, "Simulations of Xe@C60 collisions with graphitic films," Int. J. Quantum Chem. 108, 3010 (2008).
- R. Cabrera-Trujillo, J.R. Sabin, E. Deumens, and Y. Öhrn, "Cross Sections for H+ and H Atoms Colliding with Li in the Low-keV-Energy Region," Phys. Rev. A 78, 012707 (2008).
- J.R. Sabin, R. Cabrera-Trujillo, Y. Öhrn, E. Deumens, "Theoretical Investigation of Fragmentation Effects in the Energy Deposition of Swift Ions in Formaldehyde," J. Phys Conf. Series 101, 012009 (2008).
- N. Stolterfoht, R. Cabrera-Trujillo, Y. Öhrn, E. Deumens, R. Hoekstra, and J.R. Sabin, "Enormous Isotope Effects on the Charge Transfer in Slow Collisions of He2+ with Atomic Hydrogen, Deuterium, and Tritium," AIP Proceedings, CP963-V2, 260 (2007).
- F.E. Harris and J.R. Sabin, "On a Dynamic Career: A Tribute to Nils Yngve Öhrn," AIP Proceedings, CP963-V2, 138 (2007).
- F.E. Harris and J.R. Sabin, "Preface: The Nils Yngve Öhrn Symposium," AIP Proceedings, CP963-V2, 137 (2007).
- J.R. Sabin, R. Cabrera-Trujillo, L.T. Chadderton, Y. Öhrn, and E. Deumens, "Directional Aspects of Swift Ion Stopping in a Proto-Biological Molecule: Formaldehyde," AIP Proceedings, CP963-V1, 437 (2007).
- V.V. Albert, J.R. Sabin, and F.E. Harris, "Simulated Structure and Energetics of Endohedral Complexes of Noble Gas Atome in Buckminsterfullerene," Int. J. Quantum Chem. 107, 3061-3066 (2007).
- N. Stolterfoht, R. Cabrera-Trujillo, Y. Öhrn, E. Deumens, R. Hoekstra, and J.R. Sabin, "Strong Isotope Effects on the Charge Transfer in Slow Collisions of He2+ with Atomic Hydrogen, Deuterium, and Tritium," Phys. Rev. Lett. 99, 103201 (2007).
- R. Cabrera-Trujillo, J.R. Sabin, E. Deumens, Y. Öhrn, " Theoretical Investigation of Energy Deposition and Electron Capture Cross-Sections for Helium Ion Impact on Formaldehyde," Nucl. Inst. And Meth. B 261, 118-120 (2007).
- R. Cabrera-Trujillo, E. Deumens, Y. Öhrn, O. Quinet, J.R. Sabin, and N. Stolterfoht, "Water-molecule fragmentation induced by charge exchange in slow collisions with He+ and He2+ ions in the keV-energy region," Phys. Rev. A 75, 052702 (2007).
- J.R. Sabin, "Theoretical Studies of the Interaction of Radiation with Biomolecules," Adv. Quantum Chem. 52, 1-3 (2007).
- N. Stolterfoht R. Cabrera-Trujillo, R. Hellhammer, Z. Peai , E. Deumens, Y. Öhrn, and J.R. Sabin, "Charge Exchange and Fragmentation in Slow Collisions of He2+ with Water Molecules," Adv. Quantum Chem. 52, 149-170 (2007).
- S.P.A. Sauer, J. Oddershede, and J.R. Sabin, "Directional Dependence of the Mean Excitation Energy and Spectral Moments of the Dipole Oscillator Strength Distribution of Glycine and its Zwitterion," J. Phys. Chem. A 110, 8811 (2006).
- J.R. Sabin and J. Oddershede, "Stopping Power - What Next?" Adv. Quantum Chem. 49,299-319 (2005).
- J. Oddershede, J.R. Sabin, and R. Cabrera-Trujillo, "Comparison of shell corrections in the Bohr and Bethe formulations of stopping power," Nucl. Inst. Methods B 241, 144-149 (2005).
- R. Cabrera-Trujillo, J.R. Sabin, E. Deumens, and Y. Ohrn, "Orientational effects in energy deposition by protons in water," Adv. Quantum Chem. 48, 47 (2005).
- L.B. Oddershede and J.R. Sabin, "Jens Oddershede - Adventurer in Quantum Chemistry," Adv. Quantum Chem. 48, xvii-xix (2005).
- R. Cabrera-Trujillo, J.R. Sabin, E. Deumens, and Y. Öhrn, "Prediction of the energy dependence of molecular fragmentation cross sections for collisions of swift protons with ethane and acetylene," Phys. Rev. A 71, 044702 (4 pages) (2005).
- R. Cabrera-Trujillo, J.R. Sabin, Y. Öhrn, and E. Deumens, "Stopping of swift antiprotons by hydrogen atoms and the Barkas correction," Phys. Rev. A 71, 012901(6 pages) (2005).
- J.A. Nobel, S.B. Trickey, J.R. Sabin, and Jens Oddershede, "Basis set limitations on the ab initio calculation of stopping cross-sections via generalized oscillator strengths," Chem. Phys. 309, 89 (2005).
- R. Cabrera-Trujillo, Y. Öhrn, E. Deumens, J.R. Sabin, and B.G. Lindsay, "Absolute differential and total cross sections for direct and charge-transfer scattering of keV protons by O," Phys. Rev. A 70, 042705(9 pages) (2004).
- R. Cabrera-Trujillo, Y. Öhrn, E. Deumens, and J.R. Sabin, "Application of the END Theory to the H + D2 → HD + D Reaction," J. Phys. Chem. A 108, 8935 - 8940 (2004).
- R. Cabrera-Trujillo, J.R. Sabin, E. Deumens and Y. Öhrn, "Calculation of Cross Sections in Electron-Nuclear Dynamics," Adv. Quantum Chem.47, 251-272 (2004).
- R. Cabrera-Trujillo, J.R. Sabin, and J. Oddershede, "Molecular Stopping Powers from the Target Oscillator Strength Distribution," Adv. Quantum Chem. 46, 121 - 151 (2004).
- R.J. Mathar, S.B. Trickey, and J.R. Sabin, "Electronic Stopping and Momentum Density of Diamond from First-Principles Treatment of the Microscopic Dielectric Function," Adv. Quantum Chem. 45, 277 - 288 (2004).
- R. Cabrera-Trujillo, J.R. Sabin, E. Deumens, and Y. Öhrn, "Dynamical Processes in Stopping Cross Sections," Adv. Quantum Chem. 45, 99 - 124 (2004).
- R. Cabrera-Trujillo and J.R. Sabin, "The Theory and Computation of Energy Deposition Properties," Adv. Quantum Chem. 45, 1 - 5 (2004).
- R. Cabrera-Trujillo, J.R. Sabin, and J. Oddershede, "Explanation of Observed Trend in the Mean Excitation Energy of a Target as Determined Using Several Projectiles," Phys. Rev. A 68, 042902 (5 pages) (2003).
- R. Cabrera-Trujillo, P. Apell, J. Oddershede, and J.R. Sabin,
"Why Does the Maximum in the Stopping Cross Section for Protons Occur at
Approximately 100 keV Most of the Time?" AIP Conference Proceedings,
680, 86 (2003).
- L.B. Oddershede, R.T. Chancey, F.E. Harris, and J.R. Sabin, "Fragmentering af fullerener," KVANT No.2, 3 (2003).
- R. Cabrera-Trujillo, J.R. Sabin, Y. Öhrn, and E. Deumens,
"Case for Energy Gain in Stopping Power Studies," Int. J. Quantum Chem.
94, 215 (2003).
- R. Cabrera-Trujillo, J.R. Sabin, Y. Öhrn, and E. Deumens,
"Energy Loss Studies of Protons Colliding with Ethane:
Preliminary Results," J. Elect. Spectros.
129, 303-308 (2003).
- R. Chancey, L. Oddershede, F.E. Harris, and J.R. Sabin,
"Fragmentation of Fullerenes," Phys. Rev. A 67, 043203 (7
pages) (2003). [also published in: Virtual Journal of Nanoscale
Science and Technology 7/18,
(2003).]
- E.S. Kryachko and J.R. Sabin, "Quantum Chemical
Study of the Hydrogen-Bonded Patterns in the AT Base Pair of DNA: The
Origins of Tautomeric Mispairs, Base Flipping, and Watson-Crick →
Hoogsteen Conversion," Int. J. Quantum Chem. 91, 695-710
(2003).
- J. Linderberg, N. Öhrn and J.R. Sabin, "Advancing
Quantum Chemistry: Per-Olov Lowdin 1916 - 2000," Adv. Quantum Chem.
41, xi (2002).
- S. Peter Apell, J.R. Sabin, and
J. Oddershede, "Molecular Shape and the Bragg Rule," Phys. Rev. A
66, 034701-(4 pages) (2002).
- R. Cabrera-Trujillo,
Y.Öhrn, E. Deumens, J.R. Sabin, and B.G. Lindsay, "Theoretical and
Experimental Studies of the H+ - N2 System:
Differential Cross Sections for Direct and Charge-Transfer Scattering
at Kilo-Electron-Volt Energies," Phys. Rev. A 66, 042712-(7
pages) (2002).
- Y. Öhrn and J.R. Sabin, "Introduction to the Memorial Issue for
Per-Olov Löwdin," Int. J. Quantum Chem. 90, 12-13 (2002).
- R. Cabrera-Trujillo, J.R. Sabin, E. Deumens, and Y. Öhrn, "Stopping
Cross Section for N4+ -> H at low Projectile Velocity,"
Phys. Rev. A 66, 022706-(7 pages) (2002).
- S.A. Malinovskaya, R. Cabrera-Trujillo, John R. Sabin, E. Deumens, and Y. Öhrn,
"Dynamics of Proton-Acetylene Collisions at 30 eV," J. Chem. Phys.,
117, 1103-1108 (2002).
- R. Cabrera-Trujillo, Y. Öhrn, E. Deumens, and J.R. Sabin, "Trajectory
and Molecular Binding Effects in Stopping Cross section for Hydrogen Beams on H2,"
J. Chem. Phys.
116, 2783-2793 (2002).
- R. Cabrera-Trujillo, Y. Öhrn, J.R. Sabin, and E. Deumens, "Molecular
Target and Projectile Angular Scattering Effects in Stopping Power and Charge
Exchange at Low to Intermediate Projectile Energies," Phys. Rev. A
65, 024901-(4 pages) (2002).
- S.P. Apell, J.R. Sabin, S.B. Trickey, and J. Oddershede, "Shape Dependent Molecular
Polarizabilities," Int. J. Quantum Chem.
86, 35-39 (2002).
- R. Cabrera-Trujillo, J.R. Sabin, E. Deumens and Y. Öhrn, "Stopping
Cross Section and Charge Exchange Study on the He+ -> Ne System,"
AIP Proceedings,
CP576, 3-6 (2001).
- P.B. Sabin and J.R. Sabin, "Effects of Confinement on Mean Excitation
Energy," Int. J. Quantum Chem.
82, 277-281 (2001).
- J.R. Sabin and N. Trinajstic, "Michael Charles Zerner (1940-2000) -
Obituary," Croat. Chem. Acta 73 A37-A38 (2000).
- J.R. Sabin, "Obituary: Michael Charles Zerner," Adv. Quantum
Chem. 38, viii-ix (2000).
- R. Cabrera-Trujillo, J.R. Sabin, Y. Öhrn, and E. Deumens, "Stopping
Cross Sections in the Low- to Intermediate Energy Range: Study of Protons and
Hydrogen Atoms on Atomic N, O, and F," Phys. Rev. A,
62, 052714-(9 pages) (2000).
- S. P. Apell, R. Cabrera-Trujillo, J. Oddershede, S.B. Trickey, and J.R.
Sabin, "Effect of Shape on Molecular Directional Compton Profiles," J.
Mol. Struct. (Theochem)
527, 157-163 (2000).
- R. Cabrera-Trujillo, J.R. Sabin, Y. Öhrn, and E. Deumens, "Charge
Exchange and Quantum Effects in the Low Energy Region of Stopping Power,"
Phys. Rev. Lett. 84, 5300-5303 (2000).
- R. Cabrera-Trujillo, E. Deumens, Y. Öhrn, and J.R. Sabin, "Impact
Parameter Dependence of Electronic and Nuclear Energy Loss of Swift Ions: H+ ->
He and H+ -> H," Nucl. Inst. and Meth. B168, 484-492 (2000).
- S.P. Apell, J. Aizpurua, J.R. Sabin and S.B. Trickey, "Stopping in
Molecular Chains," Nucl. Inst. and Meth. B164/165, 318-323 (2000).
- R. Cabrera-Trujillo, J.R. Sabin, Y. Öhrn, and E. Deumens, "Direct
Differential Cross Section Calculations for Ion-Atom and Atom-Atom Collisions in
the keV Range," Phys. Rev. A 61, 032719-(4 pages) (2000).
- J.R. Sabin, S.B. Trickey, S.P. Apell and J. Oddershede, "Molecular
Shape, Capacitance, and Chemical Hardness," Int. J. Quantum Chem.,
77, 358-366 (2000).
- R.J. Mathar, S.B. Trickey and J.R. Sabin, "Electronic Stopping of
Protons for Lithium in the Dielectric Formulation Obtained from First Principles
Band Structures," Nucl. Inst. and Meth.
155, 249-271 (1999).
- R. Cabrera-Trujillo, J.R. Sabin, J. Oddershede, and Stephan P. A. Sauer, "The
Bethe Sum Rule and Basis Set Quality in the Calculation of Generalized
Oscillator Strengths," Adv. Quantum Chem.
35, 175-192(1999).
- S.P. Apell and J.R. Sabin, "Energy Deposition in Fullerene-Type
Nano-Structures," AIP Proceedings CP475, 375-378 (1999).
- J. Wang, R.J. Mathar, S.B. Trickey and J.R. Sabin, "Momentum Density
Effects upon Electronic Stopping of Elemental Solids," J. Phys. C
11, 3973-3985 (1999).
- S.P. Apell, S.B. Trickey, and J.R. Sabin, "A Geometrical Basis for
Molecular Stopping Anisotropy," Phys. Rev. A 58, 4616-4621 (1998).
- J.R. Sabin and J. Oddershede, "Polarization Propagator Calculations of
Molecular Generalized Oscillator Strengths," Pol. J. Chem.
72, 1376-1388 (1998).
- R. Cabrera-Trujillo, J.R. Sabin, Y. Öhrn , and J. Oddershede, "Oscillator
Strength Sum Rules with an External Magnetic Field," Phys. Rev. A 57,
3115-3118 (1998).
- K. Runge and J.R. Sabin, "Electronic Properties of Molecules in High
Magnetic Fields: Hypermagnetizabilities of H2," in Atoms
and Molecules in Strong External Fields, P. Schmelcher and W. Schweizer, eds.,
Plenum Press, pp.283-289 (1998).
- J.E. Crow, J.R. Sabin and N.S. Sullivan, "The National High Magnetic
Field Laboratory - A Precis," in Atoms and Molecules in Strong
External Fields, P. Schmelcher and W. Schweizer, eds., Plenum Press, pp.
77-81 (1998)
- J.C. Boettger, J.R. Smith, U. Birkenheuer, N. Rosch, S.B. Trickey, J.R.
Sabin, and S.P. Apell, "Extracting Convergent Surface Formation Energies
from Slab Calculations," J. Phys.: Condens. Matter 10, 893-894
(1998).
- S.P. Apell, J.R. Sabin, and S.B. Trickey, "Surface Stopping,"
Phys. Rev. A 56, 3769-3776 (1997).
- K. Runge and J.R. Sabin, "Properties of Molecules in High Magnetic
Fields: H2+, H2, and LiH," Int. J.
Quantum Chem. 64, 561-570 (1997).
- K. Runge and J.R. Sabin,, "Introduction to the Workshop on Properties
of Molecules in Strong Magnetic Fields," Int. J. Quantum Chem.
64, 495-496 (1997).
- E.K. Dalskov, J. Oddershede, and J.R. Sabin, "Generalized Oscillator
Strengths for Calculation of Molecular Stopping Properties, Some Preliminary
Results: CO," AIP Proceedings CP392, 1373-1376 (1997).
- S.P. Apell, J.R. Sabin, and S.B. Trickey, "Simple Physical Model for
Layer-Number Dependences of Proton Stopping in Ultra-This Films," AIP
Proceedings CP392, 1369-1372 (1997).
- R. Cabrera-Trujillo, S.A. Cruz, J. Oddershede, and J.R. Sabin, "A
Bethe Theory of Stopping Incorporating Electronic Excitation of Partially
Stripped Projectiles," Phys. Rev. A 55, 2864-2872 (1997);
[Erratum: Phys. Rev. A 59, 4850 (1999)].
- J.R. Sabin, "Energy Deposition of Swift Alpha's in Neon: An Electron
Nuclear Dynamics Study," Adv. Quantum Chem.
28, 107-118 (1997).
- J.R. Sabin and J. Oddershede, "Directional Characteristics of the
Generalized Oscillator Strengths for some Low Lying Transitions in H2,"
Nucl. Inst. and Meth.
B115, 79-83 (1996).
- Y. Öhrn and J. R. Sabin, "Obituary: Jean-Louis Calais,"
Phys. Today
49, 82 (1995).
- S.P. Apell, J.R. Sabin and S.B. Trickey, "Prediction of Crystalline
Properties from Ultrathin Layered Systems: Energy Deposition," Int. J.
Quantum Chem. S29, 153-159 (1995).
- G.A. Aucar, J. Oddershede and J.R. Sabin, "Relativistic Extension of
the Bethe Sum Rule," Phys. Rev. A 52 1054-1059 (1995).
- S.P.A. Sauer, J.R. Sabin and J. Oddershede, "Calculated Molecular Mean
Excitation Energies for Some Small Molecules," Nucl. Inst. and Meth.
B100, 458-463 (1995).
- H.H. Mikkelsen, J. Oddershede, J.R. Sabin and E. Bonderup, "A Bethe
Theory for Directional Dependence of Stopping by Molecules," Nucl. Inst.
and Meth. B100, 451-457 (1995).
- J.A. Nobel, J.R. Sabin and S.B. Trickey, "Simulation of Ion
Implantation in Si for 0.25 keV H+ under Channeling Conditions,"
Nucl. Inst. and Meth. B99, 632-636 (1995).
- A.C. Diz, Y. Öhrn and J.R. Sabin, "Dynamic Charge States and
Energy Deposition of Swift Helium Ions in Neon," Nucl. Inst. and Meth.
B96, 633-638 (1995).
- J.Z. Wu, S.B. Trickey, J.R. Sabin and J.C. Boettger, "Calculated
Properties of a Prototypical Ionic Monolayer," Phys. Rev. B 51,
14576-14586 (1995); [Erratum, 58, 4182 (1998)].
- S.B. Trickey and J.R. Sabin, "Reply to: Note on Stopping Power and
Statistics of Particle Penetration," Nucl. Inst. and Meth. B95,
480 (1995).
- J.R. Sabin, I. Paidarova and J. Oddershede, "On the Relative
Importance of Temperature and Isotope Effects on the Dipole Oscillator Strength
Distribution of H2," Theoret. Chim. Acta 89, 375-382
(1994).
- H.H. Andersen and J.R. Sabin, "Introduction" to the Topical Issue
of Nucl. Inst. and Meth. on Target Aggregation and Projectile Charge States,
Nucl. Inst. and Meth. B93, v-vi (1994).
- J.Z. Wu, S.B. Trickey, J.R. Sabin and J.A. Nobel, "Energy Deposition
of Protons in Allotropic Carbon Ultra-Thin Layers," Int. J. Quantum Chem.
QC28, 299-308 (1994).
- J.A. Nobel, J.R. Sabin and S.B. Trickey, "Theoretical Ion Implantation
Profiles for Low Energy Protons under Channeling Conditions," Int. J.
Quantum Chem. QC28, 283-297 (1994).
- J.I. Juaristi, J.Z. Wu, J.A. Nobel, S.B. Trickey and J.R. Sabin, "On
the Metallization of the LiF Monolayer," Solid State Comm. 91,
957-960 (1994).
- S.B. Trickey, J.Z. Wu and J.R. Sabin, "Materials Specificity, Quantum
Length Scales, and Stopping Powers," Nucl. Inst. and Meth. B93,
186-194 (1994).
- J.R. Sabin, J. Oddershede and I. Paidarova, "An Estimate of the
Temperature Dependence of the Stopping Cross Section in Molecular Targets,"
Nucl. Inst. and Meth. B93, 161-165 (1994).
- J.Z. Wu, S.B. Trickey and J.R. Sabin, "Electronic Stopping Power for
Protons in an LiF Monolayer," Int. J. Quantum Chem. QC27, 219-226
(1993).
- D.E. Meltzer, J.R. Sabin, S.B. Trickey and J.Z. Wu, "Density
Decomposition Options in the Orbital Local Plasma Approximation," Nucl.
Inst. and Meth. B82, 493-502 (1993).
- J.Z. Wu, S.B. Trickey and J.R. Sabin, "Proton Stopping in Ultrathin
Lithium Films," Nucl. Inst. and Meth. B79, 206-208 (1993).
- W.A. Parkinson, J.R. Sabin and J. Oddershede, "On the Uncorrelated
Reference for Calculation of Properties," Theo. Chim. Acta 86,
167-179 (1993).
- S.P.A. Sauer, J.R. Sabin and J. Oddershede, "Directional
Characteristics of the Moments of the Dipole Oscillator Strength Distribution of
Molecules: H2 and H2O," Phys. Rev. B 47,
1123-1129 (1993).
- E.H. Mortensen, J. Oddershede and J.R. Sabin, "Polarization Propagator
Calculations of Generalized Oscillator Strengths and Stopping Cross Sections of
He," Nucl. Inst. and Meth. B69, 24-32 (1992).
- J.Z. Wu, S.B. Trickey, J.R. Sabin and J.C. Boettger, "Structure,
Energetics, and Molecular-to-Atomic-Ordering Transitions in Hydrogen Thin Films,"
Phys. Rev. B 45, 8610-8622 (1992).
- J.R. Sabin and J. Oddershede, "Status of the Calculation of the Energy
Loss of Swift Ions in Molecules," Nucl. Inst. and Meth. B64,
678-683 (1992).
- J.Z. Wu, S.B. Trickey, J.R. Sabin and D.E. Meltzer, "Stopping of Swift
Projectiles in Material Thin Films: Hydrogen," Nucl. Inst. and Meth.
B56/57, 340-344 (1991).
- J. Geertsen, J. Oddershede and J.R. Sabin, "Quadrupole Polarizability
and Spectral Moments of the Quadrupole Oscillator Strength Distribution of N2,"
Mol., Phys. 72, 1267-1284 (1991).
- G.H.F. Diercksen, J. Oddershede, I. Paidarova and J.R. Sabin, "Calculation
of the Isotropic and Anisotropic Spectral Moments of the Dipole Oscillator
Strength Distribution of N2," Int. J. Quantum Chem.
39, 755-766 (1991).
- P. Jensen, J. Oddershede and J.R. Sabin, "Geometric Dependence of the
Mean Excitation Energy and Spectral Moments of Water," Phys. Rev. A 43,
4040-4043 (1991).
- J. Oddershede and J.R. Sabin, "Polarization Propagator Calculations of
Spectroscopic Properties of Molecules," Int. J. Quantum Chem. 39,
371-386 (1991).
- J.Z. Wu, J.R. Sabin, S.B. Trickey and J.C. Boettger, "Mono- and
Dilayer Analogues of Crystalline Atomic Hydrogen", Int. J. Quantum Chem.
S24, 873-879 (1990).
- J.R. Sabin, J. Oddershede and G.H.F. Diercksen, "Moments of the Dipole
Oscillator Strength Distribution and Mean Excitation Energies of Helium,"
Phys. Rev. A 42, 1302-1306 (1990).
- J. Oddershede and J.R. Sabin, "Mean Excitation Energy and Moments of
the Dipole Oscillator Strength Distribution of Closed Shell Aluminum Ions,"
Nucl. Inst. and Meth. B48, 34-38 (1990).
- D.E. Meltzer, J.R. Sabin and S.B. Trickey, "Calculation of Mean
Excitation Energies and Stopping Cross Sections in the Orbital Local Plasma
Approximation," Phys. Rev. A 41, 220 (1990); Erratum, 42, 666
(1990).
- J.R. Sabin and J. Oddershede, "A Comment on the Abstraction of Mean
Excitation Energies from Experimental Reduced Stopping Powers," Nucl. Inst.
and Meth. B44, 253 (1990).
- J. Oddershede and J.R. Sabin, "On the Orbital Implementation of the
Kinetic Theory of Stopping," Int. J. Quantum Chem. QC23, 557
(1989).
- J. Oddershede and J.R. Sabin, "The Effect of Correlation on the Mean
Excitation Energy of Beryllium," Phys. Rev. A 39, 5565 (1989).
- S.B. Trickey, D.E. Meltzer and J.R. Sabin, "Calculation of Stopping
Powers in Ordered Ultra-thin Films," Nucl. Inst. and Meth. B40/41,
321 (1989).
- J. Oddershede and J.R. Sabin, "Bragg Rule Additivity of Bond Stopping
Cross Sections," Nucl. Inst. and Meth. B42, 7 (1989).
- J.R. Sabin and J. Oddershede, "Predicted Phase Differences in Proton
Stopping by Alkali Metal Targets," Nucl. Inst. and Meth. B36, 249
(1989).
- J.R. Sabin and J. Oddershede, "Stopping Powers and Mean Excitation
Energies of the Transition Metals from Iron to Zinc," Phys. Rev. A 39,
1033 (1989).
- J. Oddershede and J.R. Sabin, "Calculation of Rotational g-Factors and
Magnetic Susceptabilities of H3+," Chem. Phys. 122,
291 (1988).
- J. Oddershede, J.R. Sabin, G.H.F. Diercksen and N.E. Gruner, "Calculation
of the Radiative Lifetime of BH in the Polarization Propagator Formalism,"
Chem. Phys. 115, 15 (1987).
- A. Sadlej, G.H.F. Diercksen, J. Oddershede and J.R. Sabin, "How
Reliable is the Theoretical structure of SiC2?," Chem. Phys.
122, 297 (1988).
- J. Oddershede, J.R. Sabin and G.H.F. Diercksen, "Stability and
Conformation of Silicon-Carbon Compounds. A Case study of SiC2, Si2C,
and Si3," in Understanding Molecular Properties, Aa.
Hansen, J. Avery and J. P. Dahl, eds., p.645 (Plenum, 1987).
- J.R. Sabin and J. Oddershede, "Theoretical Stopping Cross Sections for
C-H, C-C and C=C Bonds," Nuc. Inst. Meth. B27, 280 (1987).
- J.R. Sabin and J. Oddershede, "Calculated Stopping Cross Sections for
Diamond and Solid Silicon and Germanium," Nucl. Inst. Meth. B24/25,
339 (1987).
- J. Oddershede and J.R. Sabin, "Stopping Powers from Compton Profiles,"
Phys. Rev. A 35, 3283 (1987).
- J. Geertsen, J. Oddershede, and J.R. Sabin, "Calculation of Molecular
Mean Excitation Energies via the Polarization Propagator Formalism: H2
and H2O," Phys. Rev. A 34, 1104 (1986).
- G.H.F. Diercksen, N.E. Grüner, J.R. Sabin, and J. Oddershede, "Structures
and Spectra of Triatomic Silicon-Carbon Compounds," Int. J. Quantum Chem.
S19 735 (1985).
- J.R. Sabin and J. Oddershede, "Theoretical Low Energy Stopping Powers:
Effects of Sample Phase," Int. J. Quantum Chem. S19, 733 (1985).
- J.R. Sabin, J. Oddershede, G.H.G. Diercksen and N.E. Grüner, "The
Calculated Electronic Excitation Spectra of Si2C and Si3,"
J. Chem. Phys.
84, 354 (1986).
- J. Oddershede, J.R. Sabin, G.H.F. Diercksen and N.E. Grüner, "The
Structure and Spectrum of SiC2," J. Chem. Phys. 83,
1702 (1985).
- J.R. Sabin, J. Oddershede and P. Sigmund, "On the Proton Stopping
Power Maximum in Gasses and Vapours," Nuc. Inst. Meth. B12, 80
(1985).
- G.H.F. Diercksen, N.E. Grüner, J. Oddershede and J.R. Sabin, "The
Structure of Si2C and Si3," Chem, Phys. Lett. 117,
29 (1985).
- H. Jörg, N. Rösch, J.R. Sabin and B.I Dunlap, "Basis Sets in
the LCAO-Xalpha Method. On the Use of Bond-Centered Basis Functions in
Second-Row Homonuclear Diatomics." Chem. Phys. Lett. 114, 529
(1985).
- J. Oddershede and J.R. Sabin, "Orbital and Whole Atom Stopping Power
and Shell Corrections for Atoms with Z < 36," At. Dat. Nuc. Dat. Tables
31, 275 (1984).
- J.R. Sabin and S.B. Trickey, "On the Systematic Assessment of
Correlation Effects in Local Density Models," in Local Density
Approximations in Quantum Chemistry and Solid State Physics, J.P. Dahl and
J. Avery, eds., p. 333, (Plenum, 1984).
- J.R. Eyler, J. Oddershede, J.R. Sabin, G.H.F. Diercksen and N.E. Grüner,
"Excitation Energy of Linear C3H3+.
Can This Ion Be Detected by Laser-Induced Fluorescence in Flames?" J. Phys.
Chem. 88, 3121 (1984).
- B. Crist, J. Oddershede, J.R. Sabin, J.W. Perram and M.A. Ratner, "Polymer
Fracture - A Model for Chain Scission," J. Poly. Sci. Poly. Phys. 22,
881 (1984).
- J.R. Sabin and J. Oddershede, "Electronic Stopping Powers for Low
Projectile Velocities," Phys. Rev. A 29, 1757 (1984).
- J. Oddershede, J.R. Sabin and P. Sigmund, "Predicted Z2 Structure and
Gas-Solid Differences in Low-Velocity Stopping Power of Light Ions," Phys.
Rev. Lett. 51, 1332 (1983).
- V.H. Smith, Jr., J.R. Sabin, E. Broclawik and J. Mrozek, "The
Electronic Structure of the Trisulfur Trinitride Anion," Inorg. Chem. Acta
77, L101 (1983).
- J. Oddershede and J.R. Sabin, "The Use of Modified Virtual Orbitals
in Perturbative Polarization Propagator Calculations," J. Chem. Phys. 79,
2295 (1983).
- R.L. Lozes and J.R. Sabin, "Localized Electronic Excitation in a
Hydrogen Bond," Int. J. Quantum Chem. QBS9, 289 (1982).
- J.R. Sabin and J. Oddershede, "Shell Corrections to Electronic
Stopping Powers from Orbital Mean Excitation Energies," Phys. Rev. A 26,
3209 (1982).
- J. Oddershede and J.R. Sabin, "X-ray Scattering Factors, Compton
Profiles, and Shell Corrections from Numerical Atomic Wavefunctions," Chem.
Phys. 71, 161 (1982).
- J.W. Mintmire, J.R. Sabin and S.B. Trickey, "Local-Density-Functional
Methods in Two-Dimensionally Periodic Systems. Hydrogen and Beryllium
Monolayers," Phys. Rev. B 26, 1743 (1982).
- C.Th. Pedersen, J. Oddershede and J.R. Sabin, "The Stability of the
Carbenes from 1,2-Dithiole and 1,3-Dithiole in Relation to the Synthesis of
1,1, 3,3- and 1,1, 2,2-Tetrathiafulvalenes," J.C.S. Perkin II, 1062
(1981).
- C.Th. Pedersen, J. Oddershede and J.R. Sabin, "Semiempirical Studies
on 1,2- and 1,3-Tetrathiofulvalenes," Int. J. Quantum Chem. 20,
369 (1981).
- R.L. Lozes, J.R. Sabin and J. Oddershede, "On the Carbon Suboxide
Bending Potential nu(7)," J. Mol. Spectrosc. 86, 357 (1981).
- J.W. Mintmire and J.R. Sabin, "Local Density Functional Methods in Two
Dimensionally Periodic Systems. I. The Atomic Hydrogen Monolayer," Int. J.
Quantum Chem. S14, 705 (1980).
- P. Kaijser and J.R. Sabin, "A Comparison Between LCAO-Xalpha and
Hartree-Fock Wavefunctions for Momentum Space Properties of Ammonia," J.
Chem. Phys.
74, 559 (1981).
- A.L. Brower, J.R. Sabin, B. Crist and M.A. Ratner, "Ab Initio
Molecular Orbital Studies of Polyethylene Deformation," Int. J. Quantum
Chem. 18, 651 (1980).
- J.W. Mintmire and J.R. Sabin, "A Comparison of the LCAO-Xalpha Method
with the Hartree-Fock and Multiple Scattering-Xalpha Methods on Carbon Monoxide,"
Chem. Phys. 50, 91 (1980).
- B.I. Dunlap, J.W.D. Connolly and J.R. Sabin, "On First Row Diatomic
Molecules and Local Density Models," J. Chem. Phys. 71, 4993
(1979).
- B. Crist, M.A Ratner, A.L. Brower and J.R. Sabin, "Ab Initio
Calculations of the Deformation of Polyethylene," J. Appl. Phys. 50,
6047 (1979).
- B.I. Dunlap, J.W.D. Connolly and J.R. Sabin, "On Some Approximations
in Applications of XalphaTheory," J. Chem. Phys. 71, 3396 (1979).
- R. Lozes and J.R. Sabin, "Excited Electronic States of a Hydrogen
Bond: Bifluoride Ion," Int. J. Quantum Chem. 16, 273 (1979)
- M.J. Ondrechen, M.A. Ratner and J.R. Sabin, "Electron Transfer in
Fixed-Nuclei Systems: A Comparison of Propagator Descriptions," J. Chem.
Phys. 71, 2244 (1979).
- E.E. Ball, M.A. Ratner and J.R. Sabin, "The Role of d-Orbital Basis
Functions in the Electronic Structure Description of Molecules: Systems
Containing Si, P, and Cl," Chemica Scripta 12, 128 (1977); [Erratum,
Chemica Scripta 13, 203 (1978)].
- W.J. Janis, P. Kaijser, J.R. Sabin and V.H. Smith, Jr., "The Influence
of Polarization Functions on the Directional Compton Profiles of Water,"
Mol. Phys. 37, 463 (1979).
- V.H. Smith and J.R. Sabin, "The Compton Profile as a Criterion for the
Choice of the Local Exchange Parameter ," J. Phys. B: Atom. Molec. Phys.
11, 385 (1978).
- M.A. Ratner, A.A. Frost, S. Topiol and J.R. Sabin, "Comparison of
FSGO, Hartree-Fock-Roothaan and Pseudopotential Calculations for Li2,"
J. Chem. Soc. Faraday II 74, 324 (1978).
- B.I. Dunlap, J.W.D. Connolly and J.R. Sabin, "On the Applicability of
LCAO-Xalpha Methods to Molecules Containing Transition Metal Atoms: The Nickel
Atom and Nickel Hydride," Int. J. Quantum Chem. 11S, 81 (1977).
- M.A. Ratner and J.R. Sabin, "Some Symmetry Considerations Concerning
the Role of Atomic d-Orbitals in Chemical Bonds: Discussion and Some
Calculational Examples," J. Am. Chem. Soc. 99, 3954 (1977).
- S.F. Abdulnur and J.R. Sabin, "Double Minimum Bending Potentials for
AB2-Type Molecules in the CNDO Approximation," Fla. Sci. 40,
73 (1977).
- N.M. Witriol, J.D. Stettler, M.A. Ratner, J.R. Sabin and S.B. Trickey, "A
Systematic Treatment of Quantum Mechanical Reaction Coordinates," J. Chem.
Phys. 66, 1141 (1977).
- M.A. Ratner, J.R. Sabin and S.B. Trickey, "Applications of Model
Hamiltonians to the Electron Dynamics of Organic Charge Transfer Salts,"
from The Uncertainty Principle and the Foundations of Quantum Mechanics,
W.C. Price and S.S. Chissick, eds., p. 461, Wiley (1977).
- J.W. Mintmire and J.R. Sabin, "Intermolecular Potential Studies of
Hydrogen Molecule Interactions with Rare-Gas Atoms," Int. J. Quantum Chem.
10S, 213 (1976).
- M.A. Ratner and J.R. Sabin, "On Proton Mobilities in Individual
Hydrogen Bonds," from Quantum Science, Methods and Structure,
J.-L. Calais, et al., eds., Plenem Press, p. 577-588 (1976).
- J.R. Sabin, "A Semi-Empirical Study of the Structural Effects of Ionic
Defect Formation in a Model -Helical System," from Quantitative
Structure-Activity Relationships, M. Tichy, ed., Hungarian Acad. Science,
Budapest, (1976).
- J. Rychlewski and J.R. Sabin, "Hydrogen Bonding in Linear (LiH)2,"
Chem. Phys. Letters 37, 180 (1976).
- G. Born and J.R. Sabin, "Ab Initio Calculation of Some Electronically
Excited States of a Hydrogen-Bonded System: A Preliminary Report," Int. J.
Quantum Chem. QBS2, 259 (1975).
- J.R. Sabin and S.B. Trickey, "Comparison of Atomic Compton Profiles
Obtained from Four Model Local Density Functionals," J. Chem. Phys. B
8, 2593 (1975).
- N.M. Witriol, J.D. Stettler, J.R. Sabin and S.B. Trickey, "CO2-N2
Intermolecular V-T and V-V Potentials via CNDO," J. Chem. Phys. 63,
3263 (1975).
- N.M. Witriol, J.D. Stettler, J.R. Sabin and S.B. Trickey, "Investigtion
of the Computation of V-T and V-V Potentials," IEEE J. Quantum Elect.
QE-11, 717 (1975).
- J.R. Sabin, J.P. Worth and S.B. Trickey, "Cohesive Energy and the P-V
Relation for fcc Neon in Two Variants of the Xalpha Model," Phys. Rev. B
11, 3658 (1975).
- J. Cornelius and J.R. Sabin, "A CNDO Estimate of the Relative
Affinities of Taurine and Isethionic Acid for Alkali Metal Ions," Int. J.
Quantum Chem. QBS1, 43 (1974).
- N.M. Witriol, J.D. Stettler, J.R. Sabin and S.B. Trickey, "CNDO
Calculations of Intermolecular V-T and V-V Potentials. The CO2-N2
Systems," Chem. Phys. Letters 27, 540 (1974).
- M.A. Ratner, J.R. Sabin and E.E. Ball, "SCF Calculations of Some
Electronic Properties of Tetrathiofulvalene and of Some Methyl-Substituted
Tetrathiofulvalenes," Chem. Phys. Lett. 28, 393 (1974).
- P. Lindner and J.R. Sabin, "Localized Orbitals in Hydrogen Bonded
Systems," Chem. Phys. Lett. 27, 214 (1974).
- T.C. Jao, N.H.F. Beebe, W.B. Person and J.R. Sabin, "Molecular
Polarizability Estimates for Vibrational Spectral Interpretation," Chem.
Phys. Letters 26, 474 (1974).
- R.L. Tyner, W.M. Jones, Y. Ohrn and J.R. Sabin, "Semiempirical
Calculations on Phenylcarbene, Cycloheptatrieylidene, and Cycloheptatetraene and
Their Benzo-Annelated Derivatives," J. Am. Chem. Soc. 96, 3765
(1974).
- N. Rösch, G.L. Hofacker and J.R. Sabin, "Ion-Solvent Cluster in
the Vicinity of an Electrode: Semiempirical SCF Model Including Image Forces,"
J. Chem. Phys. 60, 4009 (1974).
- N.H.F. Beebe and J.R. Sabin, "An Ab Initio Study of the Electronic
Structure of C2O2," Chem. Phys. Letters 24,
389 (1974).
- P. Lindner, Y. Öhrn and J.R. Sabin, "A Semi-Empirical
Investigation of the Electronic Structure and Stability of the Oxycumulenes,"
Int. J. Quantum Chem. 7S, 261 (1973).
- M.A. Ratner, J.R. Sabin and E.E. Ball, "SCF Calculation of the
Effective Parameters for the Hubbard Model of TCNQ Charge-Transfer Salts,"
Mol. Phys. 26, 1177 (1973).
- M. Vucelic, Y. Öhrn and J.R. Sabin, "Ab Initio Calculation of the
Vibrational and Electronic Properties of Carbon Dioxide," J. Chem. Phys.
59, 3003 (1973).
- H. Kim and J.R. Sabin, "An Ab Initio Calculation of the Molecular
Structure and Properties of Hypofluorous Acid," Chem. Phys. Letters 20,
215 (1973).
- J.R. Sabin, "On the Barrier to Internal Rotation in Phosphineborane,"
Chem. Phys. Letters 20, 212 (1973).
- J.R. Sabin and M.A. Ratner, "The Wave Mechanical Treatment of Hydrogen
Bonded Systems," from Wave Mechanics--The First Fifty Years, S.S.
Chissick, W.C. Price and T. Ravensdale, eds., Butterworths, pp. 72-87, 1973.
- W.R. Oegerle and J.R. Sabin, "On the CNDO Determination of the
Molecular Conformation and Properties of Glycine and Its Zwitterion," J.
Mol. Struct. 15, 131 (1973).
- P. Lindner and J.R. Sabin, "Electron Distribution in a Short A-Type
Hydrogen Bond," Int. J. Quantum Chem. 6S, 301 (1972).
- J.R. Sabin, "A Model Study of the Interaction of a Hydrogen Bond with
a pi - Electron System," Theoret. Chem. Acta 27, 69 (1972).
- J.R. Sabin, D.P. Santry and K. Weiss, "CNDO Molecular Orbital
Calculations. On the Invariance of Methods for Second Row Elements," J.
Am. Chem. Soc. 94, 6651 (1972).
- M.A. Ratner and J.R. Sabin, "Fröhlich Polaron Model for Trapping
of Compton Electrons in Hydrogen-Bonded Glasses," Chem. Phys. Letters 14,
92 (1972).
- J.W.D. Connolly and J.R. Sabin, "Total Energy in the Multiple
Scattering Formalism: Application to the Water Molecule," J. Chem Phys.
56, 5529 (1972).
- J.R. Sabin, "Ab Initio Calculation of the Electronic Structure of
Carbon Suboxide," J. Chem. Phys. 56, 2195 (1972).
- J.R. Sabin, "CNDO Study of the Properties of Ionic Defect Structure in
a Model One-Dimensional Hydrogen-Bonded Chain," J. Chem. Phys. 56,
45 (1972).
- J.R. Sabin, "Some Calculations of the Lighter Bis(pyridine)Halogen(I)
Cations," J. Mol. Struct. 11, 33 (1972).
- J.R. Sabin and H. Kim, "A Theoretical Study of the Structure and
Properties of Carbon Trioxide," Chem. Phys. Lett. 11, 593 (1971).
- J.R. Sabin "A Comment Concerning S-H-S Type Hydrogen Bonds," Int.
J. Quantum Chem. 5S, 133 (1971).
- T. Achibald and J.R. Sabin, "Theoretical Investigation of the
Electronic Structure and Properties of N3, N3-,
and N3+," J. Chem. Phys. 55, 1821 (1971) .
- M.A. Ratner and J.R. Sabin, "Symmetry Considerations Concerning
d-Orbital Participation in Chemical Bonding of Second Row Elements," J. Am.
Chem. Soc. 93, 3542 (1971).
- J.R. Sabin, "Hydrogen Bonds Involving Sulfur. II. The Hydrogen
Sulfide-Hydrosulfide Complex," J. Chem. Phys. 54, 4675 (1971).
- J.R. Sabin, "Hydrogen Bonds Involving Sulfur. I. The Hydrogen Sulfide
Dimer," J. Am. Chem. Soc. 93, 3613 (1971).
- J.R. Sabin, "Theoretical Study of the Bis(pyridine)iodine(I) Cation,"
J. Mol. Struct. 7, 407 (1971).
- J.R. Sabin, R.E. Harris, T.W. Archibald, P.A. Kollman and L.C. Allen, "Ab
Initio MO-SCF Calculations on a Model of Anomolous Water," Theoret. Chem.
Acta 18, 235 (1970).
- J.R. Sabin, S.F. Fischer and G.L. Hofacker, "S.C.F. Calculation for
Proton- Phonon Coupling in a Linear Model of Ice," Int. J. Quantum Chem.
3S, 257 (1969)
- J.R. Sabin, S.F. Fischer and G.L. Hofacker, "Proton-Phonon Coupling in
a Hydrogen Bonded System," Phys. kondens. Materie 8, 268 (1969).
- J.R. Sabin, "Hydrogen Bonding in Simple -Electron Systems. II.
Pyridine-Pyrrol," Int. J. Quantum Chem. 2, 31 (1968).
- J.R. Sabin, "Hydrogen Bonding in Simple -Electron Systems. I.
Pyridinium-Pyridine," Int. J. Quantum Chem. 2, 23 (1968).