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Llistar Títols per Matèria "Hydrogen bonding"

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
		Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds	Guillaumes Domènech, Laia
	15 juny 2015	Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds	Guillaumes Domènech, Laia
	1999	Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes	Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
		Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes	Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
		B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation	Poater i Teixidor, Jordi ; Swart, Marcel ; Bickelhaupt, F. Matthias ; Fonseca Guerra, Célia
		B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation	Poater i Teixidor, Jordi ; Swart, Marcel ; Bickelhaupt, F. Matthias ; Fonseca Guerra, Célia
	1 juny 2018	B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation
	5 juny 2018	B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation	Poater i Teixidor, Jordi ; Swart, Marcel ; Bickelhaupt, F. Matthias ; Fonseca Guerra, Célia
	14 juliol 2014	B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation	Poater i Teixidor, Jordi ; Swart, Marcel ; Bickelhaupt, F. Matthias ; Fonseca Guerra, Célia
		A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
	2002	A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
	15 febrer 2020	A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
	2005	Density functional energy decomposition into one- and two-atom contributions	Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
		Density functional energy decomposition into one- and two-atom contributions	Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
		Dynamic behavior of hydrogen in transition metal bis(silyl) hydride complexes	Horbatenko, Yevhen ; Vyboishchikov, Sergei F.
	28 gener 2013	Dynamic behavior of hydrogen in transition metal bis(silyl) hydride complexes	Horbatenko, Yevhen ; Vyboishchikov, Sergei F.
	juliol 2023	Estudi computacional de la γ-lactonització esteroselectiva d’enllaços C-H catalitzada per complexes de Mn	Gasulla i Rabionet, Jan
	20 desembre 2001	Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions	Salvador Sedano, Pedro
		Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions	Salvador Sedano, Pedro
	setembre 2017	Influència de camps elèctrics sobre complexes amb enllaços d’hidrogen: una font de mutacions en el DNA	Masó Orriols, Sergi
		Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework	Fontanet, Mònica ; Rodríguez Pizarro, Montserrat ; Fontrodona, Xavier ; Romero García, Isabel ; Viñas, Clara ; Teixidor, Francesc
	2015	Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework	Fontanet Cepeda, Mònica ; Rodríguez Pizarro, Montserrat ; Fontrodona, Xavier ; Romero García, Isabel ; Viñas Teixidor, Clara ; Teixidor Bombardó, Francesc
		A new all-round density functional based on spin states and SN2 barriers	Swart, Marcel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
		A new all-round density functional based on spin states and SN2 barriers	Swart, Marcel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
	1 juny 2018	A new all-round density functional based on spin states and SN2 barriers

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