Rosendo Pou‐Amérigo

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

Rosendo Pou‐Amérigo, Manuela Merchán, Ignacio Nebot‐Gil et al. · Theoretical Chemistry Accounts · 1995 · 286 citations

Quantum Dynamic, Engineering, Physics +12

Quinonoid Oligothiophenes as Electron-Donor and Electron-Acceptor Materials. A Spectroelectrochemical and Theoretical Study

Juan Casado, Larry L. Miller, Kent R. Mann et al. · Journal of the American Chemical Society · 2002 · 112 citations

Nitro-Functionalized Oligothiophenes as a Novel Type of Electroactive Molecular Material:  Spectroscopic, Electrochemical, and Computational Study

Juan Casado, Ted M. Pappenfus, Larry L. Miller et al. · Journal of the American Chemical Society · 2003 · 104 citations

Organic Charge-transfer Compound, Radical Anions, Chemical Engineering +15

The chemical bonds in CuH, Cu2, NiH, and Ni2 studied with multiconfigurational second order perturbation theory

Rosendo Pou‐Amérigo, Manuela Merchán, Ignacio Nebot‐Gil et al. · The Journal of Chemical Physics · 1994 · 78 citations · Full text

Atomic Natural Orbitals, Engineering, Theoretical Inorganic Chemistry +16

Combined Spectroelectrochemical and Theoretical Study of a Vinylene-Bridged Sexithiophene Cooligomer:  Analysis of the π-Electron Delocalization and of the Electronic Defects Generated upon Doping

Juan Casado, L. L. MILLER, Kent R. Mann et al. · The Journal of Physical Chemistry B · 2002 · 64 citations

Engineering, Organic Electronics, Organic Chemistry +17