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Listing items with Subject "Molecules"

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Format	Date	Title	Author
Format	Date	Title	Author
	2008 May	Aromaticitat molecular: una recerca d’èxit amb gust d’UdG	Universitat de Girona. Servei de Publicacions
	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
		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
		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
	2020 February 15	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
	2004 March 25	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
	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
		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
	2020 February 15	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
	1993	A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration	Martí, Josep ; Bishop, David M.
		A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration	Martí, Josep ; Bishop, David M.
	2000	Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates	Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Benoît ; Kirtman, Bernard
		Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates	Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Benoît ; Kirtman, Bernard
	2023 March 27	Development and application of new methodologies for chemical bonding analysis	Gimferrer Andrés, Martí
	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
		Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity	Matito i Gras, Eduard
	2007 June	Dreta i esquerra: les molècules quirals	Solà i Puig, Miquel ; Duran i Portas, Miquel
	2022 November 25	Estudio del impacto de UGT2B17 y PD-1 en el trasplante alogénico de progenitores hematopoyéticos a partir de donante emparentado HLA idéntico	Santos Carvajal, Nazly
	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.
		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.
	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
		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
	1998 July 24	Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants	Simon i Rabasseda, Sílvia
		Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants	Simon i Rabasseda, Sílvia
	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

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