DUGi: Llistar Títols | dc.subject:"Chemical bonds"

Llistar Títols

S'han trobat 86 ítems

Llistant ítems des de 50 a 75:

1 2 3 4

Format	Data	Títol	Autor
Format	Data	Títol	Autor
		Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates	Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Benoît ; Kirtman, Bernard
	27 març 2023	Development and application of new methodologies for chemical bonding analysis	Gimferrer Andrés, Martí
	22 novembre 2017	Electronic structure, chemical bonding, and electronic delocalization of organic and inorganic systems with three-dimensional or excited state aromaticity	El Bakouri El Farri, Ouissam
	2006	Electron localization function at the correlated level	Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
		Electron localization function at the correlated level	Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
	juliol 2023	Estudi computacional de la γ-lactonització esteroselectiva d’enllaços C-H catalitzada per complexes de Mn	Gasulla i Rabionet, Jan
		The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity	Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
	2012	The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity	Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
		The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes	Garcia Borràs, Marc ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
	2012	The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes	Garcia Borràs, Marc ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
	2004	The hardness profile as a tool to detect spurious stationary points in the potential energy surface	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Solà i Puig, Miquel
		The hardness profile as a tool to detect spurious stationary points in the potential energy surface	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Solà i Puig, Miquel
	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.
		The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs	Castro Aguilera, Abril Carolina ; Swart, Marcel ; Guerra, Célia Fonseca
		The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs	Castro Aguilera, Abril Carolina ; Swart, Marcel ; Guerra, Célia Fonseca
	1 gener 2017	The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs	Castro Aguilera, Abril Carolina ; Swart, Marcel ; Guerra, Célia Fonseca
		Intramolecular halogen-halogen bonds?	Johansson, Mikael P. ; Swart, Marcel
		Intramolecular halogen-halogen bonds?	Johansson, Mikael P. ; Swart, Marcel
	2013	Intramolecular halogen-halogen bonds?	Johansson, Mikael P. ; Swart, Marcel
	15 febrer 2020	Nine Question on Energy Decomposition Analysis	Andrés, Juan ; Ayers, Paul W. ; Boto, Roberto A. ; Carbó-Dorca, Ramon ; Chermette, Henry ; Cioslowski, Jerzy ; Contreras-García, Julia ; Cooper, David L. ; Frenking, Gernot ; Gatti, Carlo ; Heidar-Zadeh, Farnaz ; Joubert, Laurent ; Martin Pendas, Ángel ; Matito i Gras, Eduard ; Mayer, István ; Misquitta, Alston J. ; Mo, Yirong ; Pilmé, Julien ; Popelier, Paul L.A. ; Rahm, Martin ; Ramos Cordoba, Eloy. ; Salvador Sedano, Pedro ; Schwarz, W.H. Eugen ; Shahbazian, Shant ; Silvi, Bernard ; Solà i Puig, Miquel ; Szalewicz, Krzysztof ; Tognetti, Vincent ; Weinhold, Frank ; Zins, Émilie-Laure
	1997	A quantum molecular similarity analysis of changes in molecular electron density caused by basis set flotation and electric field application	Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel
		A quantum molecular similarity analysis of changes in molecular electron density caused by basis set flotation and electric field application	Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel
		Regiospecific C-H bond activation: Reversible H/D exchange promoted by CuI complexes with triazamacrocyclic ligands	Ribas Salamaña, Xavi ; Xifra Garcia, Raül ; Parella Coll, Teodor ; Poater Teixidor, Albert ; Solà i Puig, Miquel ; Llobet Dalmases, Antoni
		Regiospecific C-H bond activation: Reversible H/D exchange promoted by CuI complexes with triazamacrocyclic ligands	Ribas Salamaña, Xavi ; Xifra Garcia, Raül ; Parella Coll, Teodor ; Poater Teixidor, Albert ; Solà i Puig, Miquel ; Llobet Dalmases, Antoni

1 2 3 4

DUGi

Portal de cerca conjunta als documents digitals de la UdG

Llistar Títols

Matèries

Autors