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Photoinduced activation of CO2 on Ti-based heterogeneous catalysts: Current state, chemical physics-based insights and outlook

Energy & environmental science, 2009-01, Vol.2 (7), p.745-758

2009

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Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations

Biomacromolecules, 2016-06, Vol.17 (6), p.2210-2222

2016

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X‑ray Absorption Spectroscopic Quantification and Speciation Modeling of Sulfate Adsorption on Ferrihydrite Surfaces

Environmental science & technology, 2016-08, Vol.50 (15), p.8067-8076

2016

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The Shape of Native Plant Cellulose Microfibrils

Scientific reports, 2018-09, Vol.8 (1), p.13983-8, Article 13983

2018

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ATR–FTIR and Density Functional Theory Study of the Structures, Energetics, and Vibrational Spectra of Phosphate Adsorbed onto Goethite

Langmuir, 2012-10, Vol.28 (41), p.14573-14587

2012

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Tertiary model of a plant cellulose synthase

Proceedings of the National Academy of Sciences - PNAS, 2013-04, Vol.110 (18), p.7512-7517

2013

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Simulations of the Quartz(101̅1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments

Journal of physical chemistry. C, 2011-02, Vol.115 (5), p.2076-2088

2011

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Bridging molecular-scale interfacial science with continuum-scale models

Nature communications, 2024-06, Vol.15 (1), p.5326-14, Article 5326

2024

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Ion Adsorption at the Rutile−Water Interface: Linking Molecular and Macroscopic Properties

Langmuir, 2004-06, Vol.20 (12), p.4954-4969

2004

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CCD Times of Minima of Eclipsing Binaries

Information bulletin on variable stars, 2018-03 (6232)

D., Kubicki

2018

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Quantum Chemical Study of Arsenic (III, V) Adsorption on Mn-Oxides: Implications for Arsenic(III) Oxidation

Environmental science & technology, 2009-09, Vol.43 (17), p.6655-6661

2009

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An evaluation of the structures of cellulose generated by the CHARMM force field: comparisons to in planta cellulose

Cellulose (London), 2018-07, Vol.25 (7), p.3755-3777

2018

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Simulations of Cellulose Synthesis Initiation and Termination in Bacteria

The journal of physical chemistry. B, 2019-05, Vol.123 (17), p.3699-3705

2019

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Grazing-incidence diffraction reveals cellulose and pectin organization in hydrated plant primary cell wall

Scientific reports, 2023-04, Vol.13 (1), p.5421-5421, Article 5421

2023

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Fourier-transform infrared spectroscopy (FTIR) analysis of triclinic and hexagonal birnessites

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2017-05, Vol.178 (C), p.32-46

2017

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Cellulose Microfibril Twist, Mechanics, and Implication for Cellulose Biosynthesis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-03, Vol.117 (12), p.2580-2589

2013

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The Mechanism Responsible for Extraordinary Cs Ion Selectivity in Crystalline Silicotitanate

Journal of the American Chemical Society, 2008-09, Vol.130 (35), p.11689-11694

2008

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Quantum Mechanical Modeling of the Vibrational Spectra of Minerals with a Focus on Clays

Minerals (Basel), 2019-02, Vol.9 (3), p.141

2019

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Density functional theory modeling of chromate adsorption onto ferrihydrite nanoparticles

Geochemical transactions GT, 2018-03, Vol.19 (1), p.8-8, Article 8

2018

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Integrating Density Functional Theory Modeling with Experimental Data to Understand and Predict Sorption Reactions: Exchange of Salicylate for Phosphate on Goethite

Soil systems, 2020-06, Vol.4 (2), p.27

2020

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Density functional theory predictions of equilibrium isotope fractionation of iron due to redox changes and organic complexation

Geochimica et cosmochimica acta, 2008-11, Vol.72 (21), p.5201-5216

2008

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Arsenic Adsorption onto Minerals: Connecting Experimental Observations with Density Functional Theory Calculations

Minerals (Basel), 2014-06, Vol.4 (2), p.208-240

2014

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Sorption of the antibiotic ofloxacin to mesoporous and nonporous alumina and silica

Journal of colloid and interface science, 2005-03, Vol.283 (1), p.160-170

2005

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Photoinduced activation of CO₂ on TiO₂ surfaces: Quantum chemical modeling of CO₂ adsorption on oxygen vacancies

Fuel processing technology, 2011-04, Vol.92 (4), p.805-811

2011

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The HU Aqr planetary system hypothesis revisited

Monthly notices of the Royal Astronomical Society, 2015-04, Vol.448 (2), p.1118-1136

2015

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Photoinduced activation of CO2 on Ti-based heterogeneous catalysts: Current state, chemical physics-based insights and outlook

Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations

X‑ray Absorption Spectroscopic Quantification and Speciation Modeling of Sulfate Adsorption on Ferrihydrite Surfaces

The Shape of Native Plant Cellulose Microfibrils

ATR–FTIR and Density Functional Theory Study of the Structures, Energetics, and Vibrational Spectra of Phosphate Adsorbed onto Goethite

Tertiary model of a plant cellulose synthase

Simulations of the Quartz(101̅1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments

Bridging molecular-scale interfacial science with continuum-scale models

Ion Adsorption at the Rutile−Water Interface: Linking Molecular and Macroscopic Properties

CCD Times of Minima of Eclipsing Binaries

Quantum Chemical Study of Arsenic (III, V) Adsorption on Mn-Oxides: Implications for Arsenic(III) Oxidation

An evaluation of the structures of cellulose generated by the CHARMM force field: comparisons to in planta cellulose

Simulations of Cellulose Synthesis Initiation and Termination in Bacteria

Grazing-incidence diffraction reveals cellulose and pectin organization in hydrated plant primary cell wall

Fourier-transform infrared spectroscopy (FTIR) analysis of triclinic and hexagonal birnessites

Cellulose Microfibril Twist, Mechanics, and Implication for Cellulose Biosynthesis

The Mechanism Responsible for Extraordinary Cs Ion Selectivity in Crystalline Silicotitanate

Quantum Mechanical Modeling of the Vibrational Spectra of Minerals with a Focus on Clays

Density functional theory modeling of chromate adsorption onto ferrihydrite nanoparticles

Integrating Density Functional Theory Modeling with Experimental Data to Understand and Predict Sorption Reactions: Exchange of Salicylate for Phosphate on Goethite

Density functional theory predictions of equilibrium isotope fractionation of iron due to redox changes and organic complexation

Arsenic Adsorption onto Minerals: Connecting Experimental Observations with Density Functional Theory Calculations

Sorption of the antibiotic ofloxacin to mesoporous and nonporous alumina and silica

Photoinduced activation of CO₂ on TiO₂ surfaces: Quantum chemical modeling of CO₂ adsorption on oxygen vacancies

The HU Aqr planetary system hypothesis revisited

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