Hydrogen bonding

Listing items with Subject "Hydrogen bonding"

34 items found

Showing titles from 0 to 25:

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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2015 June 15 Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds Guillaumes Domènech, Laia
out url icon Recercat Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds Guillaumes Domènech, Laia
doc icon DUGiDocs 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
out url icon Recercat 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
doc icon DUGiDocs 2014 July 14 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, Friedrich Matthias ; Fonseca Guerra, Célia
out url icon Recercat 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
out url icon Recercat 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
out url icon Recercat 2018 June 1 B-DNA structure and stability: the role of hydrogen bonding, π-π Stacking interactions, twist-angle, and solvation
out url icon Recercat 2018 June 5 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
doc icon DUGiDocs 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 LlinĂ s, Xavier
out url icon Recercat 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 LlinĂ s, Xavier
doc icon DUGiDocs 2005 Density functional energy decomposition into one- and two-atom contributions Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
out url icon Recercat Density functional energy decomposition into one- and two-atom contributions Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
doc icon DUGiDocs 2013 January 28 Dynamic behavior of hydrogen in transition metal bis(silyl) hydride complexes Horbatenko, Yevhen ; Vyboishchikov, Sergei F.
out url icon Recercat Dynamic behavior of hydrogen in transition metal bis(silyl) hydride complexes Horbatenko, Yevhen ; Vyboishchikov, Sergei F.
doc icon DUGiDocs 2001 December 20 Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions Salvador Sedano, Pedro
out url icon Recercat Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions Salvador Sedano, Pedro
doc icon DUGiDocs 2017 September Influència de camps elèctrics sobre complexes amb enllaços d’hidrogen: una font de mutacions en el DNA Masó Orriols, Sergi
out url icon Recercat 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
doc icon DUGiDocs 2015 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 Bombardó, Francesc
out url icon Recercat A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2009 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 2018 June 1 A new all-round density functional based on spin states and SN2 barriers
out url icon Recercat 2018 June 5 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
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