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Factors controlling surface oxygen exchange in oxides

Nature communications, 2019-03, Vol.10 (1), p.1346-1346, Article 1346

2019

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Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO₃ (B = Cr, Mn, Fe, Co and Ni)

Physical chemistry chemical physics : PCCP, 2015-09, Vol.17 (33), p.21643-21663

2015

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Cation interdiffusion model for enhanced oxygen kinetics at oxide heterostructure interfaces

Physical chemistry chemical physics : PCCP, 2012, Vol.14 (8), p.2606-2616

2012

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Cation interdiffusion model for enhanced oxygen kinetics at oxide heterostructure interfaces

Physical chemistry chemical physics : PCCP, 2012-02, Vol.14 (8), p.266-2616

2012

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Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO3 (B = Cr, Mn, Fe, Co and Ni)Electronic supplementary information (ESI) available. See DOI: 10.1039/c5cp02834e

2015-08

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Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO sub(3) (B = Cr, Mn, Fe, Co and Ni)

Physical chemistry chemical physics : PCCP, 2015-08, Vol.17 (33), p.21643-21663

2015

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Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO 3 (B = Cr, Mn, Fe, Co and Ni)

Physical chemistry chemical physics : PCCP, 2015, Vol.17 (33), p.21643-21663

2015

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Anomalous Interface and Surface Strontium Segregation in (La 1– y Sr y ) 2 CoO 4±δ /La 1– x Sr x CoO 3−δ Heterostructured Thin Films

The journal of physical chemistry letters, 2014-03, Vol.5 (6), p.1027-1034

2014

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Anomalous Interface and Surface Strontium Segregation in (La1-ySry)2CoO4±δ/La1-xSrxCoO3-δ Heterostructured Thin Films

The journal of physical chemistry letters, 2014-03, Vol.5 (6), p.1027-1034

2014

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Anomalous Interface and Surface Strontium Segregation in (La1–y Sr y )2CoO4±δ/La1–x Sr x CoO3−δ Heterostructured Thin Films

The journal of physical chemistry letters, 2014-03, Vol.5 (6), p.1027-1034

2014

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Intramolecular Hydrogen Bonding and Cooperative Interactions in Carbohydrates via the Molecular Tailoring Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-01, Vol.112 (2), p.312-321

2008

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Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-11, Vol.110 (45), p.12519-12523

2006

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Intramolecular hydrogen bond energy and cooperative interactions in α-, β-, and γ-cyclodextrin conformers

Journal of computational chemistry, 2011-11, Vol.32 (14), p.2996-3004

2011

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Epitaxial Strain-Induced Chemical Ordering in La0.5Sr0.5CoO3−δ Films on SrTiO3

Chemistry of materials, 2011-02, Vol.23 (4), p.984-988

2011

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Stability of conformationally locked free fructose: theoretical and computational insights

New journal of chemistry, 2015-01, Vol.39 (11), p.9006-9018

2015

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Stability of conformationally locked free fructose: theoretical and computational insightsElectronic supplementary information (ESI) available: The procedure for obtaining bare fructose rings (Fig. S1). Hyperconjugation energy by the deletion and perturbation methods (Table S1). The relative stability of fructose conformers with group equivalence and deletion methods (Table S2). The relative stability of fructose conformers with conventional homodesmic and perturbation methods (Table S3). The re

2015-10

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Intramolecular hydrogen bond energy and cooperative interactions in [alpha]-, [Beta]-, and [gamma]-cyclodextrin conformers

Journal of computational chemistry, 2011-11, Vol.32 (14), p.2996

2011

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Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-10, Vol.111 (42), p.10885-10885

2007

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Epitaxial Strain-Induced Chemical Ordering in La 0.5 Sr 0.5 CoO 3−δ Films on SrTiO 3

Chemistry of materials, 2011-02, Vol.23 (4), p.984-988

2011

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Factors controlling surface oxygen exchange in oxides

Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO₃ (B = Cr, Mn, Fe, Co and Ni)

Cation interdiffusion model for enhanced oxygen kinetics at oxide heterostructure interfaces

Cation interdiffusion model for enhanced oxygen kinetics at oxide heterostructure interfaces

Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO3 (B = Cr, Mn, Fe, Co and Ni)Electronic supplementary information (ESI) available. See DOI: 10.1039/c5cp02834e

Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO sub(3) (B = Cr, Mn, Fe, Co and Ni)

Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO 3 (B = Cr, Mn, Fe, Co and Ni)

Anomalous Interface and Surface Strontium Segregation in (La 1– y Sr y ) 2 CoO 4±δ /La 1– x Sr x CoO 3−δ Heterostructured Thin Films

Anomalous Interface and Surface Strontium Segregation in (La1-ySry)2CoO4±δ/La1-xSrxCoO3-δ Heterostructured Thin Films

Anomalous Interface and Surface Strontium Segregation in (La1–y Sr y )2CoO4±δ/La1–x Sr x CoO3−δ Heterostructured Thin Films

Intramolecular Hydrogen Bonding and Cooperative Interactions in Carbohydrates via the Molecular Tailoring Approach

Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach

Intramolecular hydrogen bond energy and cooperative interactions in α-, β-, and γ-cyclodextrin conformers

Epitaxial Strain-Induced Chemical Ordering in La0.5Sr0.5CoO3−δ Films on SrTiO3

Stability of conformationally locked free fructose: theoretical and computational insights

Intramolecular hydrogen bond energy and cooperative interactions in [alpha]-, [Beta]-, and [gamma]-cyclodextrin conformers

Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach

Epitaxial Strain-Induced Chemical Ordering in La 0.5 Sr 0.5 CoO 3−δ Films on SrTiO 3

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