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17O NMR chemical shifts in oxometalates: from the simplest monometallic species to mixed-metal polyoxometalates

Chemical science (Cambridge), 2014, Vol.5 (5), p.2031

2014

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(2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M 3 N@C 80 (M = Sc, Y): A Rotating-Intermediate Mechanism

Journal of the American Chemical Society, 2015-06, Vol.137 (21), p.6820-6828

2015

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(2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M3N@C80 (M = Sc, Y): A Rotating-Intermediate Mechanism

Journal of the American Chemical Society, 2015-06, Vol.137 (21), p.6820-6828

2015

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2D Kinematic Models of Growth Fault‐Related Folds in Contractional Settings

Tectonics of Sedimentary Basins, 2011, p.538-564

2011

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La 3 N@C 92 : An Endohedral Metallofullerene Governed by Kinetic Factors?

Inorganic chemistry, 2016-04, Vol.55 (7), p.3302-3306

2016

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3D geological modelling of a polyphase deformed pre-Variscan IOCG mineralization located at the southeastern border of the Ossa Morena Zone, Iberian Massif (Spain)

Geological journal (Chichester, England), 2010-09, Vol.45 (5-6), p.623-633

2010

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UN@(7)-C: fullerene cage encapsulating an unsymmetrical U()&z.dbd;N&z.dbd;U() cluster

Chemical science (Cambridge), 2021-01, Vol.12 (1), p.282-292

2021

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9‑Cobalt(II)-Containing 27-Tungsto-3-germanate(IV): Synthesis, Structure, Computational Modeling, and Heterogeneous Water Oxidation Catalysis

Inorganic chemistry, 2019-09, Vol.58 (17), p.11308-11316

2019

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99 Tc and Re Incorporated into Metal Oxide Polyoxometalates: Oxidation State Stability Elucidated by Electrochemistry and Theory

Inorganic chemistry, 2012-08, Vol.51 (16), p.9017-9028

2012

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99Tc and Re Incorporated into Metal Oxide Polyoxometalates: Oxidation State Stability Elucidated by Electrochemistry and Theory

Inorganic chemistry, 2012-08, Vol.51 (16), p.9017-9028

2012

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Ab initio and DFT Modeling of Complex Materials: Towards the Understanding of Electronic and Magnetic Properties of Polyoxometalates

ChemInform, 2003-12, Vol.34 (49), p.no-no

2003

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Ab initio and DFT modelling of complex materials: towards the understanding of electronic and magnetic properties of polyoxometalates

Chemical Society reviews, 2003-09, Vol.32 (5), p.297-308

2003

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Ab initio and DFT study of the exchange coupling in the highly reduced polyoxoanion [PMo 12O 40(VO) 2] 5

Chemical physics letters, 2006-09, Vol.428 (1), p.88-92

2006

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Ab Initio SCF and CI Investigations on Titanium-Carbon Clusters: Metallocarbohedrenes Ti8C12 and Cfc Crystallites Ti14C13

Journal of the American Chemical Society, 1995-01, Vol.117 (1), p.508-517

1995

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Ab initio SCF and DFT models of met-car adducts: Ti 8C 12(L) n (L = Cl, NH 3, CO, C 6H 6; n = 4, 8)

Chemical physics letters, 1996, Vol.260 (5), p.577-581

1996

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Ab initio SCF and DFT models of met-car adducts: Ti8C12(L)n (L = Cl, NH3, CO, C6H6; n = 4, 8)

Chemical physics letters, 1996-10, Vol.260 (5-6), p.577-581

1996

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Ab initio study of the antiferromagnetic coupling in the wheel-shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25― anion

Physical chemistry chemical physics : PCCP, 2010-03, Vol.12 (11), p.2716-2721

2010

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Ab Initio Study of the Relative Basicity of the External Oxygen Sites in M 2 W 4 O 19 4- (M = Nb and V)

Inorganic chemistry, 1998-06, Vol.37 (12), p.3071-3077

1998

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Ab Initio Study of the Relative Basicity of the External Oxygen Sites in M2W4O19 4- (M = Nb and V)

Inorganic chemistry, 1998-06, Vol.37 (12), p.3071-3077

1998

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Ab Initio Study of the Relative Basicity of the External Oxygen Sites in M2W4O194- (M = Nb and V)

Inorganic chemistry, 1998-06, Vol.37 (12), p.3071-3077

1998

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Ab initio study of the singlet-triplet splitting in reduced polyoxometalates

Theoretical chemistry accounts, 2009-05, Vol.123 (1-2), p.3-10

2009

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ABILITY OF DFT CALCULATIONS TO CORRECTLY DESCRIBE REDOX POTENTIALS AND ELECTRON (DE)LOCALIZATION IN POLYOXOMETALATES

Journal of molecular and engineering materials, 2014-03, Vol.2 (1), p.1440004

2014

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Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics

Chemical science (Cambridge), 2023-12, Vol.14 (47), p.13722-13733

2023

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Accuracy of Embedded Fragment Calculation for Evaluating Electron Interactions in Mixed Valence Magnetic Systems: Study of 2e-Reduced Lindqvist Polyoxometalates

Journal of chemical theory and computation, 2015-02, Vol.11 (2), p.550-559

2015

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Accurate calculation of (31)P NMR chemical shifts in polyoxometalates

Physical chemistry chemical physics : PCCP, 2015-04, Vol.17 (14), p.8723-8731

2015

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17O NMR chemical shifts in oxometalates: from the simplest monometallic species to mixed-metal polyoxometalates

(2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M 3 N@C 80 (M = Sc, Y): A Rotating-Intermediate Mechanism

(2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M3N@C80 (M = Sc, Y): A Rotating-Intermediate Mechanism

2D Kinematic Models of Growth Fault‐Related Folds in Contractional Settings

La 3 N@C 92 : An Endohedral Metallofullerene Governed by Kinetic Factors?

3D geological modelling of a polyphase deformed pre-Variscan IOCG mineralization located at the southeastern border of the Ossa Morena Zone, Iberian Massif (Spain)

UN@(7)-C: fullerene cage encapsulating an unsymmetrical U()&z.dbd;N&z.dbd;U() cluster

9‑Cobalt(II)-Containing 27-Tungsto-3-germanate(IV): Synthesis, Structure, Computational Modeling, and Heterogeneous Water Oxidation Catalysis

99 Tc and Re Incorporated into Metal Oxide Polyoxometalates: Oxidation State Stability Elucidated by Electrochemistry and Theory

99Tc and Re Incorporated into Metal Oxide Polyoxometalates: Oxidation State Stability Elucidated by Electrochemistry and Theory

Ab initio and DFT Modeling of Complex Materials: Towards the Understanding of Electronic and Magnetic Properties of Polyoxometalates

Ab initio and DFT modelling of complex materials: towards the understanding of electronic and magnetic properties of polyoxometalates

Ab initio and DFT study of the exchange coupling in the highly reduced polyoxoanion [PMo 12O 40(VO) 2] 5

Ab Initio SCF and CI Investigations on Titanium-Carbon Clusters: Metallocarbohedrenes Ti8C12 and Cfc Crystallites Ti14C13

Ab initio SCF and DFT models of met-car adducts: Ti 8C 12(L) n (L = Cl, NH 3, CO, C 6H 6; n = 4, 8)

Ab initio SCF and DFT models of met-car adducts: Ti8C12(L)n (L = Cl, NH3, CO, C6H6; n = 4, 8)

Ab initio study of the antiferromagnetic coupling in the wheel-shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25― anion

Ab Initio Study of the Relative Basicity of the External Oxygen Sites in M 2 W 4 O 19 4- (M = Nb and V)

Ab Initio Study of the Relative Basicity of the External Oxygen Sites in M2W4O19 4- (M = Nb and V)

Ab Initio Study of the Relative Basicity of the External Oxygen Sites in M2W4O194- (M = Nb and V)

Ab initio study of the singlet-triplet splitting in reduced polyoxometalates

ABILITY OF DFT CALCULATIONS TO CORRECTLY DESCRIBE REDOX POTENTIALS AND ELECTRON (DE)LOCALIZATION IN POLYOXOMETALATES

Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics

Accuracy of Embedded Fragment Calculation for Evaluating Electron Interactions in Mixed Valence Magnetic Systems: Study of 2e-Reduced Lindqvist Polyoxometalates

Accurate calculation of (31)P NMR chemical shifts in polyoxometalates

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