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Density Functional Theory (DFT) Study To Unravel the Catalytic Properties of M‑Exchanged MFI, (M = Be, Co, Cu, Mg, Mn, Zn) for the Conversion of Methane and Carbon Dioxide to Acetic Acid

ACS catalysis, 2017-10, Vol.7 (10), p.6719-6728

2017

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Atomic and molecular adsorption on Au(111)

Surface science, 2014-09, Vol.627 (C), p.57-69

2014

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DFT Study of the Lewis Acidities and Relative Hydrothermal Stabilities of BEC and BEA Zeolites Substituted with Ti, Sn, and Ge

Journal of physical chemistry. C, 2015-02, Vol.119 (8), p.4148-4157

2015

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DFT Study on the Effect of Aluminum Position in Zn-Exchanged MFI on Methane Activation

Journal of physical chemistry. C, 2019-07, Vol.123 (26), p.16164-16171

2019

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Periodic DFT Study of the Opening of Fructose and Glucose Rings and the Further Conversion of Fructose to Trioses Catalyzed by M‑BEA (M = Sn, Ti, Zr, or Hf)

Journal of physical chemistry. C, 2019-02, Vol.123 (6), p.3532-3540

2019

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Une migraine prolongée

Revue médicale de Bruxelles, 2011-11, Vol.32 (6), p.533-535

2011

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CO2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experiments

Dalton transactions : an international journal of inorganic chemistry, 2016-11, Vol.45 (43), p.17168-17178

2016

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DFT Study of Closed and Open Sites of BEA, FAU, MFI, and BEC Zeolites Substituted with Tin and Titanium

Journal of physical chemistry. C, 2016-02, Vol.120 (4), p.2176-2186

2016

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Quantum mechanical study of CO2 and CO hydrogenation on Cu(111) surfaces doped with Ga, Mg, and Ti

Journal of molecular catalysis. A, Chemical, 2016-11, Vol.423 (C), p.319-332

2016

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Microkinetic analysis of the epoxidation of styrene catalyzed by (porphyrin)Mn encapsulated in molecular squares

Journal of catalysis, 2009-08, Vol.266 (1), p.145-155

2009

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DFT analysis of coordination polymer ligands: unraveling the electrostatic properties and their effect on CO2 interaction

Adsorption : journal of the International Adsorption Society, 2015-10, Vol.21 (6-7), p.533-546

2015

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Quantum chemical determination of stable intermediates for alkene epoxidation with Mn-porphyrin catalysts

Journal of molecular catalysis. A, Chemical, 2008-04, Vol.285 (1), p.120-127

2008

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Carbon dioxide storage and sustained delivery by Cu2(pzdc)2L [L=dipyridyl-based ligand] pillared-layer porous coordination networks

Microporous and mesoporous materials, 2013-09, Vol.177, p.54-58

2013

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CO 2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experiments

Dalton transactions : an international journal of inorganic chemistry, 2016-01, Vol.45 (43), p.17168-17178

2016

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Quantum mechanical study of CO2 and CO hydrogenation on Cu(111) surfaces doped with Ga, Mg, and Ti

Journal of molecular catalysis. A, Chemical, 2016-11, Vol.423 (C)

2016

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CO2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experimentsElectronic supplementary information (ESI) available: Atomic charges obtained from DFT calculations, validation for the force field, N2 and CO2 adsorption isotherms, and textural properties for CPL-2, CPL-4, and CPL-5. See DOI: 10.1039/c6dt02994a

2016-11

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An extended migraine

Revue médicale de Bruxelles, 2011-11, Vol.32 (6), p.533-535

2011

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Quantum Chemical Determination of Stable Intermediates on CO2 Adsorption Onto Metal(Salen) Complexes

Topics in catalysis, 2012-06, Vol.55 (5-6), p.260-266

2012

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Atomic and molecular adsorption on Au(111)

Surface science, 2014-05, Vol.627 (C)

2014

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Quantum mechanical study of the reaction of CO2 and ethylene oxide catalyzed by metal–salen complexes: effect of the metal center and the axial ligand

Reaction kinetics, mechanisms and catalysis, 2015-12, Vol.116 (2), p.351-370

2015

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Echolocation: A Study of Auditory Functioning in Blind and Sighted Subjects

Journal of visual impairment & blindness, 1993-03, Vol.87 (3), p.73-77

Arias, C

1993

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Anatomic and functional surgical reconstruction of the middle ear

Revue de laryngologie - otologie - rhinologie, 1985, Vol.106 (5), p.365

1985

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The hydrolysis of fatty acid chlorides

Journal of the American Oil Chemists' Society, 1947-02, Vol.24 (2), p.36-39

1947

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The Pigments of Cottonseed. II. Gossycaerulin, a Blue Quinonoid Gossypol Derivative Occurring in Cooked Cottonseed

Journal of the American Chemical Society, 1947-03, Vol.69 (3), p.668-672

1947

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The Pigments of Cottonseed. III.2 Gossyfulvin, a Native Cottonseed Pigment Related to Gossypol3

Journal of the American Chemical Society, 1947-06, Vol.69 (6), p.1268-1273

1947

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Density Functional Theory (DFT) Study To Unravel the Catalytic Properties of M‑Exchanged MFI, (M = Be, Co, Cu, Mg, Mn, Zn) for the Conversion of Methane and Carbon Dioxide to Acetic Acid

Atomic and molecular adsorption on Au(111)

DFT Study of the Lewis Acidities and Relative Hydrothermal Stabilities of BEC and BEA Zeolites Substituted with Ti, Sn, and Ge

DFT Study on the Effect of Aluminum Position in Zn-Exchanged MFI on Methane Activation

Periodic DFT Study of the Opening of Fructose and Glucose Rings and the Further Conversion of Fructose to Trioses Catalyzed by M‑BEA (M = Sn, Ti, Zr, or Hf)

Une migraine prolongée

CO2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experiments

DFT Study of Closed and Open Sites of BEA, FAU, MFI, and BEC Zeolites Substituted with Tin and Titanium

Quantum mechanical study of CO2 and CO hydrogenation on Cu(111) surfaces doped with Ga, Mg, and Ti

Microkinetic analysis of the epoxidation of styrene catalyzed by (porphyrin)Mn encapsulated in molecular squares

DFT analysis of coordination polymer ligands: unraveling the electrostatic properties and their effect on CO2 interaction

Quantum chemical determination of stable intermediates for alkene epoxidation with Mn-porphyrin catalysts

Carbon dioxide storage and sustained delivery by Cu2(pzdc)2L [L=dipyridyl-based ligand] pillared-layer porous coordination networks

CO 2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experiments

Quantum mechanical study of CO2 and CO hydrogenation on Cu(111) surfaces doped with Ga, Mg, and Ti

An extended migraine

Quantum Chemical Determination of Stable Intermediates on CO2 Adsorption Onto Metal(Salen) Complexes

Atomic and molecular adsorption on Au(111)

Quantum mechanical study of the reaction of CO2 and ethylene oxide catalyzed by metal–salen complexes: effect of the metal center and the axial ligand

Echolocation: A Study of Auditory Functioning in Blind and Sighted Subjects

Anatomic and functional surgical reconstruction of the middle ear

The hydrolysis of fatty acid chlorides

The Pigments of Cottonseed. II. Gossycaerulin, a Blue Quinonoid Gossypol Derivative Occurring in Cooked Cottonseed

The Pigments of Cottonseed. III.2 Gossyfulvin, a Native Cottonseed Pigment Related to Gossypol3

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