Polarització (Electricitat)

Listing items with Subject "Polarització (Electricitat)"

43 items found

Showing titles from 0 to 25:

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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2004 Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization Theodoor De Jong, G. ; Solà i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, Friedrich Matthias
out url icon Recercat Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization Theodoor De Jong, G. ; Solà i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, F. Matthias
out url icon Recercat Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization Theodoor De Jong, G. ; Solà i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, F. Matthias
out url icon Recercat 2018 June 1 Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization
out url icon Recercat 2018 June 5 Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization Theodoor De Jong, G. ; Solà i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 1998 Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities Bishop, David M. ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon Recercat Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities Bishop, David M. ; Luis Luis, Josep Maria ; Kirtman, Bernard
doc icon DUGiDocs 2000 Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers Champagne, Benoît ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís ; Kirtman, Bernard
out url icon Recercat Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers Champagne, Benoît ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís ; Kirtman, Bernard
doc icon DUGiDocs 2004 Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon Recercat Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
doc icon DUGiDocs 2005 Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Bishop, David M. ; Kirtman, Bernard
out url icon Recercat Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Bishop, David M. ; Kirtman, Bernard
doc icon DUGiDocs 1993 A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration Martí, Josep ; Bishop, David M.
out url icon Recercat A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration Martí, Josep ; Bishop, David M.
doc icon DUGiDocs 2000 Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Benoît ; Kirtman, Bernard
out url icon Recercat Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Benoît ; Kirtman, Bernard
doc icon DUGiDocs 2010 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zalésny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
out url icon Recercat Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zalésny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
out url icon Recercat Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zalésny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
out url icon Recercat 2018 June 1 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene
out url icon Recercat 2018 June 5 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zaleśny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
doc icon DUGiDocs 2001 Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Kirtman, Bernard
out url icon Recercat Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Kirtman, Bernard
doc icon DUGiDocs 1999 Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís ; Champagne, Benoît ; Kirtman, Bernard
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