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Dynamics in Bi( iii )-containing apatite-type oxide ion conductors: a combined computational and experimental study

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (12), p.5129-5135

2018

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Location and orientation of lone pairs in apatite-type materials: a computational study

Dalton transactions : an international journal of inorganic chemistry, 2017, Vol.46 (46), p.15996-15999

2017

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A Generalized Sky-LOSA Method to Quantify Soot/Black Carbon Emission Rates in Atmospheric Plumes of Gas Flares

Aerosol science and technology, 2013-09, Vol.47 (9), p.1017-1029

2013

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Numerical Simulation of a Laboratory-Scale Turbulent V-Flame

Proceedings of the National Academy of Sciences - PNAS, 2005-07, Vol.102 (29), p.10006-10011

2005

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Anharmonic motions of Kr in the clathrate hydrate

Nature materials, 2005-12, Vol.4 (12), p.917-921

2005

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Mass absorption cross-section of flare-generated black carbon: Variability, predictive model, and implications

Carbon (New York), 2019-08, Vol.149, p.760-771

2019

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Structural information on ball milled magnesium hydride from vibrational spectroscopy and ab-initio calculations

Journal of alloys and compounds, 2005-05, Vol.393 (1), p.1-4

2005

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Combination of Inelastic Neutron Scattering Experiments and ab Initio Quantum Calculations for the Study of the Hydration Properties of Oriented Saponites

Journal of physical chemistry. C, 2017-03, Vol.121 (9), p.5029-5040

2017

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Polymorphism of Crystalline α-Quaterthiophene and α-Sexithiophene: Ab Initio Analysis and Comparison with Inelastic Neutron Scattering Response

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-05, Vol.109 (18), p.4202-4207

2005

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Intermolecular interactions in solid benzene

The Journal of chemical physics, 2006-01, Vol.124 (4), p.044514-044514-9

2006

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Positional recurrence maps, a powerful tool to de-correlate static and dynamical disorder in distribution maps from molecular dynamics simulations: the case of Nd2NiO4+d

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (26), p.17398-17403

2016

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The structure of deuterated methane–hydrate

The Journal of chemical physics, 2000-09, Vol.113 (11), p.4713-4721

2000

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Isotope effects associated with tunneling and double proton transfer in the hydrogen bonds of benzoic acid

The Journal of chemical physics, 2004-06, Vol.120 (23), p.11107-11119

2004

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Melting mechanism of monolayers adsorbed in cylindrical pores:The influence of the pore wall roughness

The Journal of chemical physics, 2008-05, Vol.128 (18), p.184703-184703-8

2008

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Freezing on heating of liquid solutions

The Journal of chemical physics, 2004-09, Vol.121 (11), p.5031-5034

2004

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Combined Directed ortho Metalation/Suzuki−Miyaura Cross-Coupling Strategies. Regiospecific Synthesis of Chlorodihydroxybiphenyls and Polychlorinated Biphenyls

Journal of organic chemistry, 2007-08, Vol.72 (16), p.5960-5967

2007

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Neutron Vibrational Spectroscopy Gives New Insights into the Structure of Poly(p-phenylene terephthalamide)

Journal of the American Chemical Society, 2005-05, Vol.127 (18), p.6672-6678

2005

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Dispersion of vibrational modes in benzoic acid crystals

Chemical physics letters, 2002-09, Vol.364 (1), p.34-38

2002

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Melting mechanism of monolayers adsorbed in cylindrical pores: An influence of the pore wall roughness

Applied surface science, 2007-04, Vol.253 (13), p.5601-5605

2007

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The structure of methane hydrate under geological conditions a combined Rietveld and maximum entropy analysis

The Journal of chemical physics, 2004-06, Vol.120 (21), p.10163-10171

2004

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Far- and Mid-Infrared of Crystalline 2,2‘-Bithiophene: Ab Initio Analysis and Comparison with Infrared Response

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-03, Vol.109 (8), p.1684-1691

2005

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The vibrational spectrum of crystalline benzoic acid: Inelastic neutron scattering and density functional theory calculations

The Journal of chemical physics, 2001-08, Vol.115 (7), p.3241-3248

2001

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Vibrational spectroscopy with neutrons—Where are we now?

Vibrational spectroscopy, 2010-05, Vol.53 (1), p.54-59

2010

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Quantitative atom-atom potentials from rotational tunneling: their extraction and their use

Annual review of physical chemistry, 2000-01, Vol.51 (1), p.297-321

2000

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Quantitation of Dihydropyrimidine Dehydrogenase Expression by Real-Time Reverse Transcription Polymerase Chain Reaction

Analytical biochemistry, 2000-02, Vol.278 (2), p.175-184

2000

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Dynamics in Bi( iii )-containing apatite-type oxide ion conductors: a combined computational and experimental study

Location and orientation of lone pairs in apatite-type materials: a computational study

A Generalized Sky-LOSA Method to Quantify Soot/Black Carbon Emission Rates in Atmospheric Plumes of Gas Flares

Numerical Simulation of a Laboratory-Scale Turbulent V-Flame

Anharmonic motions of Kr in the clathrate hydrate

Mass absorption cross-section of flare-generated black carbon: Variability, predictive model, and implications

Structural information on ball milled magnesium hydride from vibrational spectroscopy and ab-initio calculations

Combination of Inelastic Neutron Scattering Experiments and ab Initio Quantum Calculations for the Study of the Hydration Properties of Oriented Saponites

Polymorphism of Crystalline α-Quaterthiophene and α-Sexithiophene: Ab Initio Analysis and Comparison with Inelastic Neutron Scattering Response

Intermolecular interactions in solid benzene

Positional recurrence maps, a powerful tool to de-correlate static and dynamical disorder in distribution maps from molecular dynamics simulations: the case of Nd2NiO4+d

The structure of deuterated methane–hydrate

Isotope effects associated with tunneling and double proton transfer in the hydrogen bonds of benzoic acid

Melting mechanism of monolayers adsorbed in cylindrical pores:The influence of the pore wall roughness

Freezing on heating of liquid solutions

Combined Directed ortho Metalation/Suzuki−Miyaura Cross-Coupling Strategies. Regiospecific Synthesis of Chlorodihydroxybiphenyls and Polychlorinated Biphenyls

Neutron Vibrational Spectroscopy Gives New Insights into the Structure of Poly(p-phenylene terephthalamide)

Dispersion of vibrational modes in benzoic acid crystals

Melting mechanism of monolayers adsorbed in cylindrical pores: An influence of the pore wall roughness

The structure of methane hydrate under geological conditions a combined Rietveld and maximum entropy analysis

Far- and Mid-Infrared of Crystalline 2,2‘-Bithiophene: Ab Initio Analysis and Comparison with Infrared Response

The vibrational spectrum of crystalline benzoic acid: Inelastic neutron scattering and density functional theory calculations

Vibrational spectroscopy with neutrons—Where are we now?

Quantitative atom-atom potentials from rotational tunneling: their extraction and their use

Quantitation of Dihydropyrimidine Dehydrogenase Expression by Real-Time Reverse Transcription Polymerase Chain Reaction

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