All papers available in PDF format.
Papers submitted to journals with restrictions on web pre-publication are available by request only. Send requests to jkp@firstprinciples.com.
Papers indicated by (*) are PDF files generated from high quality scans and may take longer to download and print.
Superconductivity Papers:
Paper 1: Jamil Tahir-Kheli, "Inter-Band Theory of Superconductors: Resolution of Observed S and D-Wave Tunneling with Isotropic S-Wave Pairing," in Proc. 10th Anniversary HTS Workshop, ed. by B. Batlogg, et al. (World Scientific, Singapore, 1996), p. 491.
Paper 2: Jason K. Perry and Jamil Tahir-Kheli, "Electronic Structure of La1.85Sr0.15CuO4: Characterization of a Fermi Level Band Crossing," Phys. Rev. B 58 (18), 12323 (1998).
Paper 3: Jamil Tahir-Kheli, "Interband Pairing Theory of Superconductivity," Phys. Rev. B 58 (18), 12307 (1998).
Paper 4: Jason K. Perry, "The Importance of Static Correlation in the Band Structure of High Temperature Superconductors," J. Phys. Chem. A 104 (11), 2438 (2000).
Paper 5: Jason K. Perry and Jamil Tahir-Kheli, "Electron Correlation and the c-axis Dispersion of Cu dz2: A New Band Structure for High Temperature Superconductors," unpublished.
Paper 6: Jamil Tahir-Kheli, "The NMR of High Temperature Superconductors without Anti-Ferromagnetic Spin Fluctuations," J. Phys. Chem A., 104 (11), 2432 (2000).
Paper 7: Jason K. Perry and Jamil Tahir-Kheli, "The Angle Resolved Photoemission Pseudogap and Anomalous Background of Underdoped Bi2Sr2CaCu2O8+d as Evidence for a Fermi Level Band Crossing," Phys. Rev. B, submitted.
Paper 8: Jason K. Perry, Jamil Tahir-Kheli, and William A. Goddard III, "Antiferromagnetic Band Structure of La2CuO4: Becke-3-Lee-Yang-Parr Calculations," Phys. Rev. B, 63 (14), 144510 (2001).
Paper 9: Jason K. Perry, Jamil Tahir-Kheli, and William A. Goddard III, "Ab Initio Evidence for the Formation of Impurity d(3z2-r2) Holes in Doped La2-xSrxCuO4, Phys. Rev. B, 65 (14), 144501 (2002).
Petroleum Chemistry Papers:
Paper 1 (available on request): Yongchun Tang, Jason K. Perry, and P.D. Jenden, "Mathematical modeling of stable carbon isotope ratios in natural gases," Geochimica et Cosmochimica Acta, in press.
Paper 2 (available on request): Jason K. Perry, William A. Goddard III, John Shinn, Anil Patel, Rawls Frazier, and Yongchun Tang, "A Complete First Principles Model of Gasoline Reforming Kinetics," J. Am. Chem. Soc., to be submitted.
Transition Metal Chemistry Papers:
Paper 1(*): Jason K. Perry, William A. Goddard III, and Gilles Ohanessian, "Inequivalence of equivalent bonds: Symmetry breaking in Co(CH3)2+," J. Chem. Phys. 97, 7560 (1992).
Paper 2(*): Jason K. Perry, Gilles Ohanessian, and William A. Goddard III, "Molecular Complexes of Small Alkanes with Co+," J. Phys. Chem. 97, 5238 (1993).
Paper 3(*): Jason K. Perry, Gilles Ohanessian, and William A. Goddard III, "Mechanism and Energetics for Dehydrogenation of Methane by Gaseous Iridium Ions," Organometallics 13, 1870 (1994).
Paper 4(*): Jason K. Perry and William A. Goddard III, "Trends in Sc+-Alkyl Bond Strengths," J. Am. Chem. Soc. 116, 5013 (1994).
Paper 5(*): Chris L. Haynes, Peter B. Armentrout, Jason K. Perry, and William A. Goddard III, "Experimental and Theoretical Studies of Co(CH4)x+ with x=1-4," J. Phys. Chem. 99, 6340 (1995).
Paper 6: Petra A.M. van Koppen, Jason K. Perry, Paul R. Kemper, John E. Bushnell, and Michael T. Bowers, "Activation of Methane by Ti+: A Cluster Assisted Mechanism for s-Bond Activations, Experiment and Theory," Int. J. Mass. Spectrom. Ion Proc. 185/186/187, 989 (1999).
Paper 7: Catherine J. Carpenter, Petra A.M. van Koppen, Michael T. Bowers, and Jason K. Perry, "The Role of the Cyclopentadienyl Ligand in the Sigma-Bond Activation of Methane," J. Am. Chem. Soc., 122, 392 (2000).
Ab Initio Methods Papers:
Paper 1: Daniel T. Mainz, Jasna J. Klicic, Richard A. Friesner, Jean-Marc Langlois, and Jason K. Perry, " Extension of the PS-GVB electronic structure code to transition metal complexes," J. Comp. Chem. 18, 1863 (1997).
Paper 2: George Vacek, Jason K. Perry, and Jean-Marc Langlois, "Advance Initial Guess Algorithm for Self-Consistent Field Calculations on Organometallic Systems," Chem. Phys. Lett. 310, 189 (1999).
Other Publications:
Paper 1: Jason K. Perry and David R. Yarkony, "On the electronic structure of the He+H2 system: Characterization of, and nonadiabatic interactions between, the 1 1A' and 2 1A' potential energy surfaces," J. Chem. Phys. 89, 4945 (1988).
Paper 2: Charles B. Musgrave, Jason K. Perry, Ralph C. Merkle, and William A. Goddard III, "Theoretical studies of a hydrogen abstraction tool for nanotechnology," Nanotechnology 2, 187 (1991).
Paper 3: Jamil Tahir-Kheli and William A. Goddard III, "Exact Solution to a Strongly Coupled Hubbard Model in 1-D for High Tc Superconductors," Phys. Rev. B 47, 1116 (1993).Paper 4: Jamil Tahir-Kheli and William A. Goddard III, "The Infinite Range Heisenberg Model and High Temperature Superconductivity," Phys. Rev. B 48, 13002 (1993).
Paper 5: Jamil Tahir-Kheli and William A. Goddard III, "Spinons and Holons in 1-D Three-Band Hubbard Models for High Tc Superconductors," Proc. Nat. Acad. Sci. 90, 9959 (1993).