DUGi: Browse by Title | dc.subject:"Density functionals"

Browse by Title

419 items found

Showing titles from 300 to 325:

8 9 10 11 12 13 14 15 16 17

Format	Date	Title	Author
Format	Date	Title	Author
		Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60	García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
		Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60	García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
	2018 June 1	Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60
	2018 June 5	Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60	García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
	2016 January 22	Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60	García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
		The Regioselectivity of Bingel-Hirsch Cycloadditions on Isolated Pentagon Rule Endohedral Metallofullerenes	Garcia Borràs, Marc ; Cerón, Maira R. ; Osuna Oliveras, Sílvia ; Izquierdo, Marta ; Luis Luis, Josep Maria ; Echegoyen, Luis A. ; Solà i Puig, Miquel
	2016	The Regioselectivity of Bingel-Hirsch Cycloadditions on Isolated Pentagon Rule Endohedral Metallofullerenes	Garcia Borràs, Marc ; Cerón, Maira R. ; Osuna Oliveras, Sílvia ; Izquierdo, Marta ; Luis Luis, Josep Maria ; Echegoyen, Luis A. ; Solà i Puig, 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
	2003	Relations among several nuclear and electronic density functional reactivity indexes	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Toro-Labbé, Alejandro ; Solà i Puig, Miquel
		Relations among several nuclear and electronic density functional reactivity indexes	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Toro-Labbé, Alejandro ; Solà i Puig, Miquel
	1997	The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules	Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
		The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules	Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
	2020 February 15	The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules	Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
		Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene–Ene–Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism	Cassú Ponsatí, Daniel ; Parella Coll, Teodor ; Solà i Puig, Miquel ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
	2018 June 1	Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene–Ene–Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism
	2018 June 5	Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene–Ene–Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism	Cassú Ponsatí, Daniel ; Parella Coll, Teodor ; Solà i Puig, Miquel ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
	2020 February 15	Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene–Ene–Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism	Cassú Ponsatí, Daniel ; Parella Coll, Teodor ; Solà i Puig, Miquel ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
		Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene–Ene–Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism	Cassú Ponsatí, Daniel ; Parella Coll, Teodor ; Solà i Puig, Miquel ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
		The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics	Guillaumes Domènech, Laia ; Simon i Rabasseda, Sílvia ; Fonseca Guerra, Célia
		The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics	Guillaumes Domènech, Laia ; Simon i Rabasseda, Sílvia ; Fonseca Guerra, Célia
	2018 June 1	The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics
	2018 June 5	The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics	Guillaumes Domènech, Laia ; Simon i Rabasseda, Sílvia ; Fonseca Guerra, Célia
	2015 June	The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics	Guillaumes Domènech, Laia ; Simon i Rabasseda, Sílvia ; Fonseca Guerra, Célia
	2020 February 15	The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics	Guillaumes Domènech, Laia ; Simon i Rabasseda, Sílvia ; Fonseca Guerra, Célia

8 9 10 11 12 13 14 15 16 17

DUGi

UdG's digital documents access portal

Browse by Title

Subjects

Authors