John R. Sabin - Publications List

current to 01.12.2007

Publications

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 He^2+ 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).