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Scientific Reports
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August 2, 2016
What is the mechanism of formation of hydroxyaluminosilicates?
James Beardmore, Xabier Lopez, Jon I Mujika, et al.
The Journal of Chemical Physics
|
November 2, 2015
H4: A challenging system for natural orbital functional approximations
Eloy Ramos-Cordoba, Xabier Lopez, Mario Piris, et al.
The Journal of Physical Chemistry. A
|
June 13, 2015
Performance of PNOF6 for Hydrogen Abstraction Reactions
Xabier Lopez, Mario Piris, Fernando Ruipérez, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Density functional study of the in-line mechanism of methanolysis of cyclic phosphate and thiophosphate esters in solution: insight into thio effects in RNA transesterification
Yun Liu, Brent A Gregersen, Xabier Lopez, et al.
Journal of the American Chemical Society
|
September 1, 2005
Optical absorption of the blue fluorescent protein: a first-principles study
Xabier Lopez, Miguel A L Marques, Alberto Castro, et al.
Journal of the American Chemical Society
|
February 12, 2004
The structure and stability of biological metaphosphate, phosphate, and phosphorane compounds in the gas phase and in solution
Kevin Range, Matthew J McGrath, Xabier Lopez, et al.
The Journal of Physical Chemistry. B
|
May 12, 2010
Molecular dynamics simulation of bovine pancreatic ribonuclease A-CpA and transition state-like complexes
Elena Formoso, Jon M Matxain, Xabier Lopez, et al.
The Journal of Chemical Physics
|
May 16, 2012
The extended Koopmans' theorem: vertical ionization potentials from natural orbital functional theory
Mario Piris, Jon M Matxain, Xabier Lopez, et al.
Journal of Inorganic Biochemistry
|
February 4, 2006
A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: thermodynamics of the complex formation and metal exchange reactions
Elixabete Rezabal, Jose M Mercero, Xabier Lopez, et al.
The Journal of Physical Chemistry. B
|
July 28, 2006
Reaction mechanism of the acidic hydrolysis of highly twisted amides: Rate acceleration caused by the twist of the amide bond
Jon I Mujika, Elena Formoso, Jose M Mercero, et al.
Page
of 11
Search research articles
Search
Showing results (21-30 of 101) with videos related to
Sort By:
Page
of 11
Scientific Reports
|
August 2, 2016
What is the mechanism of formation of hydroxyaluminosilicates?
James Beardmore, Xabier Lopez, Jon I Mujika, et al.
The Journal of Chemical Physics
|
November 2, 2015
H4: A challenging system for natural orbital functional approximations
Eloy Ramos-Cordoba, Xabier Lopez, Mario Piris, et al.
The Journal of Physical Chemistry. A
|
June 13, 2015
Performance of PNOF6 for Hydrogen Abstraction Reactions
Xabier Lopez, Mario Piris, Fernando Ruipérez, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Density functional study of the in-line mechanism of methanolysis of cyclic phosphate and thiophosphate esters in solution: insight into thio effects in RNA transesterification
Yun Liu, Brent A Gregersen, Xabier Lopez, et al.
Journal of the American Chemical Society
|
September 1, 2005
Optical absorption of the blue fluorescent protein: a first-principles study
Xabier Lopez, Miguel A L Marques, Alberto Castro, et al.
Journal of the American Chemical Society
|
February 12, 2004
The structure and stability of biological metaphosphate, phosphate, and phosphorane compounds in the gas phase and in solution
Kevin Range, Matthew J McGrath, Xabier Lopez, et al.
The Journal of Physical Chemistry. B
|
May 12, 2010
Molecular dynamics simulation of bovine pancreatic ribonuclease A-CpA and transition state-like complexes
Elena Formoso, Jon M Matxain, Xabier Lopez, et al.
The Journal of Chemical Physics
|
May 16, 2012
The extended Koopmans' theorem: vertical ionization potentials from natural orbital functional theory
Mario Piris, Jon M Matxain, Xabier Lopez, et al.
Journal of Inorganic Biochemistry
|
February 4, 2006
A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: thermodynamics of the complex formation and metal exchange reactions
Elixabete Rezabal, Jose M Mercero, Xabier Lopez, et al.
The Journal of Physical Chemistry. B
|
July 28, 2006
Reaction mechanism of the acidic hydrolysis of highly twisted amides: Rate acceleration caused by the twist of the amide bond
Jon I Mujika, Elena Formoso, Jose M Mercero, et al.
Page
of 11