Juan Peralta

e-mail: juanp@rice.edu
Home page: http://www.ruf.rice.edu/~juanp/

Selected Publications

• Optical Transitions in Metallic Single-Walled Carbon Nanotubes,
  V. Barone, J.E. Peralta, and G.E. Scuseria, Nano Lett. 5, 1830 (2005).
  
  
• Relativistic calculation of indirect NMR spin-spin couplings using the Douglas-Kroll-Hess approximation,
  J.I. Melo, M.C. Ruiz de Azua, J.E. Peralta, and G.E. Scuseria, J. Chem. Phys. 123, 204112 (2005).
  
  
• Density Functional Theory Study of Optical Transitions in Semiconducting Single-Walled Carbon Nanotubes,
  V. Barone, J.E. Peralta, M. Wert, J. Heyd, and G. E. Scuseria, Nano Lett. 5, 1621 (2005).
  
  
• All-electron Hybrid Density Functional Calculations on UF_n and UCl_n (n=1-6),
  J.E. Peralta, E.R. Batista, G.E. Scuseria, and R.L. Martin, J. Chem. Theory Comput. 4, 616 (2005).
  
  
• Scalar relativistic all-electron density functional calculations on periodic systems,
  J.E. Peralta, J. Uddin, and G.E. Scuseria, J. Chem. Phys. 122, 084108 (2005).
  
  
• Density Functional Theory Calculation of Indirect Nuclear Magnetic Resonance Spin-Spin Coupling Constants in C₇₀, J.E. Peralta, V. Barone, G.E. Scuseria and R.H. Contreras, J. Am. Chem. Soc. 126, 7428-7429 (2004).
  
  
• Basis Set Dependence of NMR Spin-Spin Couplings in Density Functional Theory Calculations: First Row and Hydrogen Atoms,
  J.E. Peralta, G.E. Scuseria, J.R. Cheeseman, and M.J. Frisch, Chem. Phys. Lett. 375, 542-458 (2003).
  
  

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