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The Journal of Physical Chemistry. B
|
December 8, 2006
Understanding the concept of basicity in zeolites. A DFT study of the methylation of Al-O-Si bridging oxygen atoms
Pierre Mignon, Paul Geerlings, Robert Schoonheydt
Journal of the American Society for Mass Spectrometry
|
April 19, 2013
Improved DFT-based interpretation of ESI-MS of aqueous metal cations
Stuart Bogatko, Emilie Cauët, Paul Geerlings
The Journal of Physical Chemistry. A
|
July 13, 2006
The importance of the external potential on group electronegativity
Tom Leyssens, Paul Geerlings, Daniel Peeters
The Journal of Physical Chemistry. A
|
July 6, 2010
Cooperativity in Al3+ hydrolysis reactions from density functional theory calculations
Stuart Bogatko, Jan Moens, Paul Geerlings
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2013
Rydberg electron capture by neutral Al hydrolysis products
Stuart Bogatko, Emilie Cauët, Paul Geerlings
The Journal of Physical Chemistry. A
|
July 21, 2006
Molecular quantum similarity of enantiomers: substituted allenes
Sara Janssens, Greet Boon, Paul Geerlings
The Journal of Physical Chemistry. B
|
September 17, 2009
Enzymatic catalysis: the emerging role of conceptual density functional theory
Goedele Roos, Paul Geerlings, Joris Messens
The Journal of Physical Chemistry. B
|
February 14, 2006
Origin of the pKa perturbation of N-terminal cysteine in alpha- and 3(10)-helices: a computational DFT study
Goedele Roos, Stefan Loverix, Paul Geerlings
Protein Science : a Publication of the Protein Society
|
November 11, 2009
The conserved active site tryptophan of thioredoxin has no effect on its redox properties
Goedele Roos, Paul Geerlings, Joris Messens
The Journal of Physical Chemistry. A
|
July 14, 2006
A group electronegativity equalization scheme including external potential effects
Tom Leyssens, Paul Geerlings, Daniel Peeters
Page
of 17
Search research articles
Search
Showing results (11-20 of 165) with videos related to
Sort By:
Page
of 17
The Journal of Physical Chemistry. B
|
December 8, 2006
Understanding the concept of basicity in zeolites. A DFT study of the methylation of Al-O-Si bridging oxygen atoms
Pierre Mignon, Paul Geerlings, Robert Schoonheydt
Journal of the American Society for Mass Spectrometry
|
April 19, 2013
Improved DFT-based interpretation of ESI-MS of aqueous metal cations
Stuart Bogatko, Emilie Cauët, Paul Geerlings
The Journal of Physical Chemistry. A
|
July 13, 2006
The importance of the external potential on group electronegativity
Tom Leyssens, Paul Geerlings, Daniel Peeters
The Journal of Physical Chemistry. A
|
July 6, 2010
Cooperativity in Al3+ hydrolysis reactions from density functional theory calculations
Stuart Bogatko, Jan Moens, Paul Geerlings
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2013
Rydberg electron capture by neutral Al hydrolysis products
Stuart Bogatko, Emilie Cauët, Paul Geerlings
The Journal of Physical Chemistry. A
|
July 21, 2006
Molecular quantum similarity of enantiomers: substituted allenes
Sara Janssens, Greet Boon, Paul Geerlings
The Journal of Physical Chemistry. B
|
September 17, 2009
Enzymatic catalysis: the emerging role of conceptual density functional theory
Goedele Roos, Paul Geerlings, Joris Messens
The Journal of Physical Chemistry. B
|
February 14, 2006
Origin of the pKa perturbation of N-terminal cysteine in alpha- and 3(10)-helices: a computational DFT study
Goedele Roos, Stefan Loverix, Paul Geerlings
Protein Science : a Publication of the Protein Society
|
November 11, 2009
The conserved active site tryptophan of thioredoxin has no effect on its redox properties
Goedele Roos, Paul Geerlings, Joris Messens
The Journal of Physical Chemistry. A
|
July 14, 2006
A group electronegativity equalization scheme including external potential effects
Tom Leyssens, Paul Geerlings, Daniel Peeters
Page
of 17