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Dynamic behavior of hydrogen in transition metal bis(silyl) hydride complexes |
Horbatenko, Yevhen
; Vyboishchikov, Sergei F.
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2013 January 28 |
Dynamic behavior of hydrogen in transition metal bis(silyl) hydride complexes |
Horbatenko, Yevhen
; Vyboishchikov, Sergei F.
|
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2014 July 24 |
Effect of pre-bond moisture on the static and fatigue behaviour of bonded joints between CFRP laminates for structural repairs |
Budhe, Sandip Rudha
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Effect of pre-bond moisture on the static and fatigue behaviour of bonded joints between CFRP laminates for structural repairs |
Budhe, Sandip Rudha
|
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2017 November 22 |
Electronic structure, chemical bonding, and electronic delocalization of organic and inorganic systems with three-dimensional or excited state aromaticity |
El Bakouri El Farri, Ouissam
|
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2006 |
Electron localization function at the correlated level |
Matito i Gras, Eduard
; Silvi, Bernard
; Duran i Portas, Miquel
; SolĂ i Puig, Miquel
|
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Electron localization function at the correlated level |
Matito i Gras, Eduard
; Silvi, Bernard
; Duran i Portas, Miquel
; SolĂ i Puig, Miquel
|
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2023 July |
Estudi computacional de la γ-lactonització esteroselectiva d’enllaços C-H catalitzada per complexes de Mn |
Gasulla i Rabionet, Jan
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2021 May 11 |
Estudio de la influencia de los factores ambientales en el comportamiento de la uniĂłn adhesiva entre hormigĂłn y barras FRP NSM |
Duran Sureda, Imma
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|
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 BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
|
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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 BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
|
|
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The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia BorrĂ s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
|
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2012 |
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia BorrĂ s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ 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
; SolĂ 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
; SolĂ i Puig, Miquel
|
|
1996 |
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? |
Simon i Rabasseda, SĂlvia
; Duran i Portas, Miquel
; Dannenberg, J. J.
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How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? |
Simon i Rabasseda, SĂlvia
; Duran i Portas, Miquel
; Dannenberg, J. J.
|
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2001 December 20 |
Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions |
Salvador Sedano, Pedro
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Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions |
Salvador Sedano, Pedro
|
|
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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, CĂ©lia 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, CĂ©lia Fonseca
|
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2017 January 1 |
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, CĂ©lia Fonseca
|
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2017 September |
Influència de camps elèctrics sobre complexes amb enllaços d’hidrogen: una font de mutacions en el DNA |
MasĂł Orriols, Sergi
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Intramolecular halogen-halogen bonds? |
Johansson, Mikael P.
; Swart, Marcel
|
|
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Intramolecular halogen-halogen bonds? |
Johansson, Mikael P.
; Swart, Marcel
|