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Imidazole functionalized graphene and carbon nanotubes for CO2 detection

Journal of molecular structure, 2022-07, Vol.1259, p.132719, Article 132719

2022

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Wet-Chemical Noncovalent Functionalization of CVD Graphene: Molecular Doping and Its Effect on Electrolyte-Gated Graphene Field-Effect Transistor Characteristics

Journal of physical chemistry. C, 2022-03, Vol.126 (9), p.4522-4533

2022

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Helium and Argon Interactions with Gold Surfaces: Ab Initio-Assisted Determination of the He–Au Pairwise Potential and Its Application to Accommodation Coefficient Determination

Journal of physical chemistry. C, 2018-07, Vol.122 (26), p.14606-14614

2018

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Non-parametric wall model and methods of identifying boundary conditions for moments in gas flow equations

Physics of fluids (1994), 2018-03, Vol.30 (3)

2018

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Effect of film thickness and temperature on condensation and momentum accommodation at the liquid–vapor methane interphase in contact with a quartz substrate

International journal of thermal sciences, 2024-02, Vol.196, p.108739, Article 108739

2024

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Non-covalent functionalization of single walled carbon nanotubes with Fe-/Co-porphyrin and Co-phthalocyanine for field-effect transistor applications

Organic electronics, 2021-09, Vol.96, p.106212, Article 106212

2021

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Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm

Chemical physics, 2006-10, Vol.329 (1), p.179-192

2006

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Boundary conditions for gas flow problems from anisotropic scattering kernels

Journal of mathematical physics, 2015-10, Vol.56 (10)

2015

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Raw and processed data used in non-covalent functionalization of single walled carbon nanotubes with Co-porphyrin and Co-phthalocyanine and its effect on field-effect transistor characteristics

Data in brief, 2021-10, Vol.38, p.107366-107366, Article 107366

2021

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Ab initio ro-vibronic spectroscopy of SiCCl ($\tilde{X}^2\Pi$X̃2Π)

The Journal of chemical physics, 2014-07, Vol.141 (3), p.6446

2014

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Strain-induced friction anisotropy between graphene and molecular liquids

The Journal of chemical physics, 2017-01, Vol.146 (1), p.014707-014707

2017

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Influence of the pairwise potential on the tangential momentum accommodation coefficient: a multi-scale study applied to the argon on Pt(111) system

The European physical journal. B, Condensed matter physics, 2013-04, Vol.86 (4), Article 164

2013

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Simulation of the [Formula omitted.] - [Formula omitted.] absorption and emission spectra of the SiCCl radical

Molecular physics, 2015-07, Vol.113 (13-14), p.1695

2015

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Multiscale Study of Gas Slip Flows in Nanochannels

Journal of heat transfer, 2015-09, Vol.137 (9)

2015

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CCSD(T)-F12 investigations on HBNH and its isotopologues

International journal of quantum chemistry, 2012-05, Vol.112 (9), p.2051-2061

2012

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Tuning the band gap and optical spectra of silicon-doped graphene: Many-body effects and excitonic states

Journal of alloys and compounds, 2017-02, Vol.693, p.1185-1196

2017

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Ab initio investigations on the CaO2+ dication

Computational and theoretical chemistry, 2015-01, Vol.1052, p.1-5

2015

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Time-dependent wave packet study on trans-cis isomerization of HONO driven by an external field

The Journal of chemical physics, 2007-10, Vol.127 (16), p.164315-164315

2007

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Theoretical spectroscopy of the HNCl− anion

Molecular physics, 2011-11, Vol.109 (22), p.2655-2662

2011

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Effects of surface morphology and anisotropy on the tangential-momentum accommodation coefficient between Pt(100) and Ar

Physical review. E, Statistical, nonlinear, and soft matter physics, 2012-11, Vol.86 (5 Pt 1), p.051201-051201, Article 051201

2012

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Electronic states and rovibrational spectroscopy of the HAlF+ and HAlCl+ cations

Computational and theoretical chemistry, 2012-10, Vol.997 (-), p.19-24

2012

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Tensorial slip theory for gas flows and comparison with molecular dynamics simulations using an anisotropic gas-wall collision mechanism

Physical review. E, Statistical, nonlinear, and soft matter physics, 2013-05, Vol.87 (5), p.053012-053012, Article 053012

2013

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Ab initio study of the low lying electronic states of ZnF and ZnF

The Journal of chemical physics, 2008-07, Vol.129 (4), p.044313-044313

2008

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Quasi-particle energies and optical excitations of wurtzite BeO and its nanosheet

Journal of alloys and compounds, 2016-10, Vol.682 (15), p.254-262

2016

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Ab initio study of the low-lying electronic states of the CaO molecule

Chemical physics, 2011-07, Vol.386 (1), p.50-55

2011

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Imidazole functionalized graphene and carbon nanotubes for CO2 detection

Wet-Chemical Noncovalent Functionalization of CVD Graphene: Molecular Doping and Its Effect on Electrolyte-Gated Graphene Field-Effect Transistor Characteristics

Helium and Argon Interactions with Gold Surfaces: Ab Initio-Assisted Determination of the He–Au Pairwise Potential and Its Application to Accommodation Coefficient Determination

Non-parametric wall model and methods of identifying boundary conditions for moments in gas flow equations

Effect of film thickness and temperature on condensation and momentum accommodation at the liquid–vapor methane interphase in contact with a quartz substrate

Non-covalent functionalization of single walled carbon nanotubes with Fe-/Co-porphyrin and Co-phthalocyanine for field-effect transistor applications

Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm

Boundary conditions for gas flow problems from anisotropic scattering kernels

Raw and processed data used in non-covalent functionalization of single walled carbon nanotubes with Co-porphyrin and Co-phthalocyanine and its effect on field-effect transistor characteristics

Ab initio ro-vibronic spectroscopy of SiCCl ($\tilde{X}^2\Pi$X̃2Π)

Strain-induced friction anisotropy between graphene and molecular liquids

Influence of the pairwise potential on the tangential momentum accommodation coefficient: a multi-scale study applied to the argon on Pt(111) system

Simulation of the [Formula omitted.] - [Formula omitted.] absorption and emission spectra of the SiCCl radical

Multiscale Study of Gas Slip Flows in Nanochannels

CCSD(T)-F12 investigations on HBNH and its isotopologues

Tuning the band gap and optical spectra of silicon-doped graphene: Many-body effects and excitonic states

Ab initio investigations on the CaO2+ dication

Time-dependent wave packet study on trans-cis isomerization of HONO driven by an external field

Theoretical spectroscopy of the HNCl− anion

Effects of surface morphology and anisotropy on the tangential-momentum accommodation coefficient between Pt(100) and Ar

Electronic states and rovibrational spectroscopy of the HAlF+ and HAlCl+ cations

Tensorial slip theory for gas flows and comparison with molecular dynamics simulations using an anisotropic gas-wall collision mechanism

Ab initio study of the low lying electronic states of ZnF and ZnF

Quasi-particle energies and optical excitations of wurtzite BeO and its nanosheet

Ab initio study of the low-lying electronic states of the CaO molecule

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