Molècules

Listing items with Subject "Molècules"

41 items found

Showing titles from 0 to 25:

  1  2   
FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2008 May Aromaticitat molecular: una recerca d’èxit amb gust d’UdG Universitat de Girona. Servei de Publicacions
doc icon DUGiDocs 2005 Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer Torrent Sucarrat, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
out url icon Recercat Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer Torrent Sucarrat, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
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 1996 A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Solà i Puig, Miquel ; Mestres i López, Jordi ; Carbó-Dorca, Ramon ; Duran i Portas, Miquel
out url icon Recercat A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Solà i Puig, Miquel ; Mestres i López, Jordi ; Carbó-Dorca, Ramon ; Duran i Portas, Miquel
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 2006 July 7 Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity Matito i Gras, Eduard
out url icon Recercat Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity Matito i Gras, Eduard
doc icon DUGiDocs 2007 June Dreta i esquerra: les molècules quirals Solà i Puig, Miquel ; Duran i Portas, Miquel
doc icon DUGiDocs 1996 How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
out url icon Recercat How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
doc icon DUGiDocs 2002 Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon Recercat Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
doc icon DUGiDocs 1998 July 24 Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants Simon i Rabasseda, Sílvia
out url icon Recercat Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants Simon i Rabasseda, Sílvia
doc icon DUGiDocs 2008 Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem Asturiol Bofill, David ; Duran i Portas, Miquel ; Salvador Sedano, Pedro
out url icon Recercat Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem Asturiol Bofill, David ; Duran i Portas, Miquel ; Salvador Sedano, Pedro
out url icon Recercat Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Van Duijnen, Piet th.
doc icon DUGiDocs 2005 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Duijnen, Petrus Theodorus van‏
out url icon Recercat 2018 June 1 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model
  1  2   

Subjects

Authors