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Dalton Transactions (Cambridge, England : 2003)
|
October 1, 2009
Expanding the role of oxo-molybdenum(VI) catalysts: a DFT interpretation of X-H activation leading to reduction or oxidation
Maria José Calhorda, Paulo Jorge Costa
Dalton Transactions (Cambridge, England : 2003)
|
May 14, 2011
Indenyl effect in dissociative reactions. Nucleophilic substitution in iron carbonyl complexes: a case study
Luis F Veiros, Maria José Calhorda
The Journal of Physical Chemistry. A
|
March 29, 2007
A new look at the ylidic bond in phosphorus ylides and related compounds: energy decomposition analysis combined with a domain-averaged fermi hole analysis
Maria José Calhorda, Andreas Krapp, Gernot Frenking
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2017
Effects of oxygenation on the intercalation of 1,10-phenanthroline-5,6/4,7-dione between DNA base pairs: a computational study
Aurellia Galliot, Adrià Gil, Maria José Calhorda
Journal of Chemical Theory and Computation
|
December 5, 2015
Geometry Optimization of a Ru(IV) Allyl Dicationic Complex: A DFT Failure?
Maria José Calhorda, Paul S Pregosin, Luis F Veiros
The Journal of Chemical Physics
|
April 3, 2021
A lacunary tungstomolybdophosphate as an electronic pendulum: The "blue" electron under examination
Nuno A G Bandeira, Huizhang Liu, Maria José Calhorda
Inorganic Chemistry
|
October 24, 2001
Molecular Structures of M(2)(CO)(9) and M(3)(CO)(12) (M = Fe, Ru, Os): New Theoretical Insights
Elke Hunstock, Carlo Mealli, Maria José Calhorda, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 22, 2002
The nature of the indenyl effect
Maria José Calhorda, Carlos C Romão, Luis F Veiros
Journal of Chemical Theory and Computation
|
November 18, 2015
How the intercalation of phenanthroline affects the structure, energetics, and bond properties of DNA base pairs: theoretical study applied to adenine-thymine and guanine-cytosine tetramers
Adrià Gil, Manuel Melle-Franco, Vicenç Branchadell, et al.
Journal of the American Chemical Society
|
September 18, 2003
Mechanism for the cyclotrimerization of alkynes and related reactions catalyzed by CpRuCl
Karl Kirchner, Maria José Calhorda, Roland Schmid, et al.
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of 7
Search research articles
Search
Showing results (1-10 of 70) with videos related to
Sort By:
Page
of 7
Dalton Transactions (Cambridge, England : 2003)
|
October 1, 2009
Expanding the role of oxo-molybdenum(VI) catalysts: a DFT interpretation of X-H activation leading to reduction or oxidation
Maria José Calhorda, Paulo Jorge Costa
Dalton Transactions (Cambridge, England : 2003)
|
May 14, 2011
Indenyl effect in dissociative reactions. Nucleophilic substitution in iron carbonyl complexes: a case study
Luis F Veiros, Maria José Calhorda
The Journal of Physical Chemistry. A
|
March 29, 2007
A new look at the ylidic bond in phosphorus ylides and related compounds: energy decomposition analysis combined with a domain-averaged fermi hole analysis
Maria José Calhorda, Andreas Krapp, Gernot Frenking
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2017
Effects of oxygenation on the intercalation of 1,10-phenanthroline-5,6/4,7-dione between DNA base pairs: a computational study
Aurellia Galliot, Adrià Gil, Maria José Calhorda
Journal of Chemical Theory and Computation
|
December 5, 2015
Geometry Optimization of a Ru(IV) Allyl Dicationic Complex: A DFT Failure?
Maria José Calhorda, Paul S Pregosin, Luis F Veiros
The Journal of Chemical Physics
|
April 3, 2021
A lacunary tungstomolybdophosphate as an electronic pendulum: The "blue" electron under examination
Nuno A G Bandeira, Huizhang Liu, Maria José Calhorda
Inorganic Chemistry
|
October 24, 2001
Molecular Structures of M(2)(CO)(9) and M(3)(CO)(12) (M = Fe, Ru, Os): New Theoretical Insights
Elke Hunstock, Carlo Mealli, Maria José Calhorda, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 22, 2002
The nature of the indenyl effect
Maria José Calhorda, Carlos C Romão, Luis F Veiros
Journal of Chemical Theory and Computation
|
November 18, 2015
How the intercalation of phenanthroline affects the structure, energetics, and bond properties of DNA base pairs: theoretical study applied to adenine-thymine and guanine-cytosine tetramers
Adrià Gil, Manuel Melle-Franco, Vicenç Branchadell, et al.
Journal of the American Chemical Society
|
September 18, 2003
Mechanism for the cyclotrimerization of alkynes and related reactions catalyzed by CpRuCl
Karl Kirchner, Maria José Calhorda, Roland Schmid, et al.
Page
of 7