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A theoretical study of glucose mutarotation in aqueous solution

Carbohydrate research, 2006-06, Vol.341 (8), p.1029-1040

2006

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Ab initio studies of pristine and oxidized Cu3Au(100) and (111) surfaces

Journal of materials science, 2012-11, Vol.47 (21), p.7594-7600

2012

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Microwave effects on NiMoS and CoMoS single-sheet catalysts

Journal of molecular modeling, 2018-06, Vol.24 (6), p.128-8, Article 128

2018

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Chemical Analysis and Molecular Models for Calcium–Oxygen–Carbon Interactions in Black Carbon Found in Fertile Amazonian Anthrosoils

Environmental science & technology, 2014-07, Vol.48 (13), p.7445-7452

2014

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Graphene as interface modifier in ITO and ITO-Cr electrodes

Current Applied Physics, 2020, 20(7), , pp.846-852

2020

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How to find an optimum cluster size through topological site properties: MoSx model clusters

Journal of computational chemistry, 2011-07, Vol.32 (10), p.2186-2194

2011

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The role of intermolecular interactions in polyaniline/polyamide-6,6 pressure-sensitive blends studied by DFT and 1H NMR

European polymer journal, 2016-12, Vol.85, p.588-604

2016

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Theoretical characterization of tolanene: A new 2D sp-sp2 hybridized carbon allotrope

Carbon (New York), 2024-01, Vol.217, p.118618, Article 118618

2024

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Electric and structural properties of polymeric graphite carbon nitride (g-C3N4): A Density Functional Theory study

Computational and theoretical chemistry, 2016-12, Vol.1098, p.41-49

2016

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Graphene as interface modifier in ITO and ITO-Cr electrodes

Current applied physics, 2020-07, p.846-852

2020

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How to find an optimum cluster size through topological site properties: MoS x model clusters

Journal of computational chemistry, 2011-07, Vol.32 (10), p.2186-2194

2011

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How to find an optimum cluster size through topological site properties: MoS^sub x^model clusters

Journal of computational chemistry, 2011-07, Vol.32 (10), p.2186

2011

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How to find an optimum cluster size through topological site properties: MoSxmodel clusters

Journal of computational chemistry, 2011-07, Vol.32 (10), p.2186-2194

2011

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Phosphorous bonding in single wall carbon nanotubes studied by X-ray photoelectron spectroscopy and DFT calculations

Carbon (New York), 2016-04, Vol.99, p.1-7

2016

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Probing topological electronic effects in catalysis: thiophene adsorption on NiMoS and CoMoS clusters

Journal of the Brazilian Chemical Society, 2012-10, Vol.23 (10), p.1789-1799

2012

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Theoretical Study of the CF2CH2 → HF + CF⋮CH Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-10, Vol.104 (42), p.9535-9541

2000

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First-principles study of oxygen-induced copper segregation in Cu3Au(111)

Chemical physics, 2013-01, Vol.410, p.99-102

2013

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The role of intermolecular interactions in polyaniline/polyamide-6,6 pressure-sensitive blends studied by DFT and ^sup 1^H NMR

European polymer journal, 2016-12, Vol.85, p.588

2016

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Ab initio studies of pristine and oxidized [Cu.sub.3]Au surfaces

Journal of materials science, 2012-11, Vol.47 (21), p.7594

2012

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An Alternative Mechanism for the 1,4-Asymmetric Induction in the Stereoselective Addition of (R)-Pantolactone to 2-Phenylpropylketene

Journal of the Brazilian Chemical Society, 2011, Vol.22 (4), p.756-766

2011

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Theoretical Study of the CF 2 CH 2 → HF + CF⋮CH Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-10, Vol.104 (42), p.9535-9541

2000

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Density functional theory molecular simulation of thiophene adsorption on MoS2 including microwave effects

Journal of molecular structure. Theochem, 2007-11, Vol.822 (1-3), p.80-88

2007

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Study of Carbon Nanostructures for Soil Fertility Improvement

Bioengineering Applications of Carbon Nanostructures, 2015, p.85-104

2015

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Density functional theory molecular simulation of thiophene adsorption on MoS 2 including microwave effects

Journal of molecular structure. Theochem, 2007, Vol.822 (1), p.80-88

2007

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Distinct Immune Cell Populations Define Response to Anti-PD-1 Monotherapy and Anti-PD-1/Anti-CTLA-4 Combined Therapy

Cancer cell, 2019-02, Vol.35 (2), p.238-255.e6

2019

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A theoretical study of glucose mutarotation in aqueous solution

Ab initio studies of pristine and oxidized Cu3Au(100) and (111) surfaces

Microwave effects on NiMoS and CoMoS single-sheet catalysts

Chemical Analysis and Molecular Models for Calcium–Oxygen–Carbon Interactions in Black Carbon Found in Fertile Amazonian Anthrosoils

Graphene as interface modifier in ITO and ITO-Cr electrodes

How to find an optimum cluster size through topological site properties: MoSx model clusters

The role of intermolecular interactions in polyaniline/polyamide-6,6 pressure-sensitive blends studied by DFT and 1H NMR

Theoretical characterization of tolanene: A new 2D sp-sp2 hybridized carbon allotrope

Electric and structural properties of polymeric graphite carbon nitride (g-C3N4): A Density Functional Theory study

Graphene as interface modifier in ITO and ITO-Cr electrodes

How to find an optimum cluster size through topological site properties: MoS x model clusters

How to find an optimum cluster size through topological site properties: MoS^sub x^model clusters

How to find an optimum cluster size through topological site properties: MoSxmodel clusters

Phosphorous bonding in single wall carbon nanotubes studied by X-ray photoelectron spectroscopy and DFT calculations

Probing topological electronic effects in catalysis: thiophene adsorption on NiMoS and CoMoS clusters

Theoretical Study of the CF2CH2 → HF + CF⋮CH Reaction

First-principles study of oxygen-induced copper segregation in Cu3Au(111)

The role of intermolecular interactions in polyaniline/polyamide-6,6 pressure-sensitive blends studied by DFT and ^sup 1^H NMR

Ab initio studies of pristine and oxidized [Cu.sub.3]Au surfaces

An Alternative Mechanism for the 1,4-Asymmetric Induction in the Stereoselective Addition of (R)-Pantolactone to 2-Phenylpropylketene

Theoretical Study of the CF 2 CH 2 → HF + CF⋮CH Reaction

Density functional theory molecular simulation of thiophene adsorption on MoS2 including microwave effects

Study of Carbon Nanostructures for Soil Fertility Improvement

Density functional theory molecular simulation of thiophene adsorption on MoS 2 including microwave effects

Distinct Immune Cell Populations Define Response to Anti-PD-1 Monotherapy and Anti-PD-1/Anti-CTLA-4 Combined Therapy

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