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Journal of Inorganic Biochemistry
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September 1, 2004
The coordination of imidazole and substituted pyridines by the hemeoctapeptide N-acetyl-ferromicroperoxidase-8 (FeIINAcMP8)
Preeti R Vashi, Helder M Marques
Physical Chemistry Chemical Physics : PCCP
|
February 19, 2010
The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density
Pradeep R Varadwaj, Helder M Marques
The Journal of Physical Chemistry. A
|
May 17, 2011
DFT-B3LYP, NPA-, and QTAIM-based study of the physical properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) complexes
Pradeep R Varadwaj, Arpita Varadwaj, Helder M Marques
Journal of Computational Chemistry
|
April 25, 2019
Nature of halogen-centered intermolecular interactions in crystal growth and design: Fluorine-centered interactions in dimers in crystalline hexafluoropropylene as a prototype
Arpita Varadwaj, Helder M Marques, Pradeep R Varadwaj
Scientific Reports
|
July 25, 2019
C<sub>70</sub> Fullerene Cage as a Novel Catalyst for Efficient Proton Transfer Reactions between Small Molecules: A Theoretical study
Pradeep R Varadwaj, Arpita Varadwaj, Helder M Marques
The Journal of Physical Chemistry. A
|
October 1, 2008
DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes
Pradeep R Varadwaj, Ignacy Cukrowski, Helder M Marques
Molecules (Basel, Switzerland)
|
January 26, 2019
Is the Fluorine in Molecules Dispersive? Is Molecular Electrostatic Potential a Valid Property to Explore Fluorine-Centered Non-Covalent Interactions?
Arpita Varadwaj, Helder M Marques, Pradeep R Varadwaj
Acta Crystallographica. Section C, Crystal Structure Communications
|
April 9, 2004
Isoamylcobalamin-acetone-water (1/0.385/12.650)
Christopher B Perry, Manuel A Fernandes, Helder M Marques
Acta Crystallographica. Section C, Crystal Structure Communications
|
February 10, 2004
Diisopropylphosphitocobalamin-acetone-water (1/3.48/7.56)
Susan M Chemaly, Helder M Marques, Christopher B Perry
Journal of Computational Chemistry
|
September 25, 2018
Halogen in materials design: Chloroammonium lead triiodide perovskite (ClNH<sub>3</sub> PbI<sub>3</sub> ) a dynamical bandgap semiconductor in 3D for photovoltaics
Pradeep R Varadwaj, Arpita Varadwaj, Helder M Marques, et al.
Page
of 7
Search research articles
Search
Showing results (11-20 of 65) with videos related to
Sort By:
Page
of 7
Journal of Inorganic Biochemistry
|
September 1, 2004
The coordination of imidazole and substituted pyridines by the hemeoctapeptide N-acetyl-ferromicroperoxidase-8 (FeIINAcMP8)
Preeti R Vashi, Helder M Marques
Physical Chemistry Chemical Physics : PCCP
|
February 19, 2010
The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density
Pradeep R Varadwaj, Helder M Marques
The Journal of Physical Chemistry. A
|
May 17, 2011
DFT-B3LYP, NPA-, and QTAIM-based study of the physical properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) complexes
Pradeep R Varadwaj, Arpita Varadwaj, Helder M Marques
Journal of Computational Chemistry
|
April 25, 2019
Nature of halogen-centered intermolecular interactions in crystal growth and design: Fluorine-centered interactions in dimers in crystalline hexafluoropropylene as a prototype
Arpita Varadwaj, Helder M Marques, Pradeep R Varadwaj
Scientific Reports
|
July 25, 2019
C<sub>70</sub> Fullerene Cage as a Novel Catalyst for Efficient Proton Transfer Reactions between Small Molecules: A Theoretical study
Pradeep R Varadwaj, Arpita Varadwaj, Helder M Marques
The Journal of Physical Chemistry. A
|
October 1, 2008
DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes
Pradeep R Varadwaj, Ignacy Cukrowski, Helder M Marques
Molecules (Basel, Switzerland)
|
January 26, 2019
Is the Fluorine in Molecules Dispersive? Is Molecular Electrostatic Potential a Valid Property to Explore Fluorine-Centered Non-Covalent Interactions?
Arpita Varadwaj, Helder M Marques, Pradeep R Varadwaj
Acta Crystallographica. Section C, Crystal Structure Communications
|
April 9, 2004
Isoamylcobalamin-acetone-water (1/0.385/12.650)
Christopher B Perry, Manuel A Fernandes, Helder M Marques
Acta Crystallographica. Section C, Crystal Structure Communications
|
February 10, 2004
Diisopropylphosphitocobalamin-acetone-water (1/3.48/7.56)
Susan M Chemaly, Helder M Marques, Christopher B Perry
Journal of Computational Chemistry
|
September 25, 2018
Halogen in materials design: Chloroammonium lead triiodide perovskite (ClNH<sub>3</sub> PbI<sub>3</sub> ) a dynamical bandgap semiconductor in 3D for photovoltaics
Pradeep R Varadwaj, Arpita Varadwaj, Helder M Marques, et al.
Page
of 7