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The Journal of Physical Chemistry. A
|
March 29, 2011
Dispersion corrections essential for the study of chemical reactivity in fullerenes
Sílvia Osuna, Marcel Swart, Miquel Solà
The Journal of Chemical Physics
|
September 11, 2009
A new all-round density functional based on spin states and S(N)2 barriers
Marcel Swart, Miquel Solà, F Matthias Bickelhaupt
Bioorganic & Medicinal Chemistry
|
November 3, 2005
Theoretical study of structure, pKa, lipophilicity, solubility, absorption, and polar surface area of some centrally acting antihypertensives
Milan Remko, Marcel Swart, F Matthias Bickelhaupt
Inorganic Chemistry
|
December 10, 2016
Electrochemical Polymerization of Iron(III) Polypyridyl Complexes through C-C Coupling of Redox Non-innocent Phenolato Ligands
Duenpen Unjaroen, Marcel Swart, Wesley R Browne
Journal of Computational Chemistry
|
March 10, 2011
Inter- and intramolecular dispersion interactions
Marcel Swart, Miquel Solà, F Matthias Bickelhaupt
Journal of Chemical Theory and Computation
|
December 1, 2015
Density Functional Calculations of E2 and SN2 Reactions: Effects of the Choice of Method, Algorithm, and Numerical Accuracy
Marcel Swart, Miquel Solà, F Matthias Bickelhaupt
Journal of Computational Chemistry
|
March 8, 2007
Energy landscapes of nucleophilic substitution reactions: a comparison of density functional theory and coupled cluster methods
Marcel Swart, Miquel Solà, F Matthias Bickelhaupt
The Journal of Physical Chemistry. B
|
February 14, 2007
Conformational behavior of basic monomeric building units of glycosaminoglycans: isolated systems and solvent effect
Milan Remko, Marcel Swart, F Matthias Bickelhaupt
Journal of Computational Chemistry
|
July 11, 2006
Proton affinities of maingroup-element hydrides and noble gases: trends across the periodic table, structural effects, and DFT validation
Marcel Swart, Ernst Rösler, F Matthias Bickelhaupt
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 26, 2013
Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization
Laura Orian, Marcel Swart, F Matthias Bickelhaupt
Page
of 13
Search research articles
Search
Showing results (21-30 of 123) with videos related to
Sort By:
Page
of 13
The Journal of Physical Chemistry. A
|
March 29, 2011
Dispersion corrections essential for the study of chemical reactivity in fullerenes
Sílvia Osuna, Marcel Swart, Miquel Solà
The Journal of Chemical Physics
|
September 11, 2009
A new all-round density functional based on spin states and S(N)2 barriers
Marcel Swart, Miquel Solà, F Matthias Bickelhaupt
Bioorganic & Medicinal Chemistry
|
November 3, 2005
Theoretical study of structure, pKa, lipophilicity, solubility, absorption, and polar surface area of some centrally acting antihypertensives
Milan Remko, Marcel Swart, F Matthias Bickelhaupt
Inorganic Chemistry
|
December 10, 2016
Electrochemical Polymerization of Iron(III) Polypyridyl Complexes through C-C Coupling of Redox Non-innocent Phenolato Ligands
Duenpen Unjaroen, Marcel Swart, Wesley R Browne
Journal of Computational Chemistry
|
March 10, 2011
Inter- and intramolecular dispersion interactions
Marcel Swart, Miquel Solà, F Matthias Bickelhaupt
Journal of Chemical Theory and Computation
|
December 1, 2015
Density Functional Calculations of E2 and SN2 Reactions: Effects of the Choice of Method, Algorithm, and Numerical Accuracy
Marcel Swart, Miquel Solà, F Matthias Bickelhaupt
Journal of Computational Chemistry
|
March 8, 2007
Energy landscapes of nucleophilic substitution reactions: a comparison of density functional theory and coupled cluster methods
Marcel Swart, Miquel Solà, F Matthias Bickelhaupt
The Journal of Physical Chemistry. B
|
February 14, 2007
Conformational behavior of basic monomeric building units of glycosaminoglycans: isolated systems and solvent effect
Milan Remko, Marcel Swart, F Matthias Bickelhaupt
Journal of Computational Chemistry
|
July 11, 2006
Proton affinities of maingroup-element hydrides and noble gases: trends across the periodic table, structural effects, and DFT validation
Marcel Swart, Ernst Rösler, F Matthias Bickelhaupt
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 26, 2013
Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization
Laura Orian, Marcel Swart, F Matthias Bickelhaupt
Page
of 13