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Bonding and structure in dense multi-component molecular mixtures

The Journal of chemical physics, 2015-10, Vol.143 (16), p.164513-164513

2015

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The Mechanism of CO2 Adsorption under Dry and Humid Conditions in Mesoporous Silica-Supported Amine Sorbents

Journal of physical chemistry. C, 2016-10, Vol.120 (41), p.23683-23691

2016

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Bayesian calibration of thermodynamic models for the uptake of CO2 in supported amine sorbents using ab initio priors

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (12), p.4355-4366

2013

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Unified Concept of Effective One Component Plasma for Hot Dense Plasmas

Physical review letters, 2016-03, Vol.116 (11), p.115003-115003, Article 115003

2016

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The Hydration Number of Li+ in Liquid Water

Journal of the American Chemical Society, 2000-02, Vol.122 (5), p.966-967

2000

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Mott Transition in a Metallic Liquid: Gutzwiller Molecular Dynamics Simulations

Physical review letters, 2017-06, Vol.118 (22), p.226401-226401, Article 226401

2017

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Thermal Stability of a Eutectic Mixture of Bis(2,2‐dinitropropyl) Acetal and Formal: Part C. Kinetic Compensation Effect

Propellants, explosives, pyrotechnics, 2021-01, Vol.46 (1), p.134-149

2021

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Modeling Effects of Annealing on Coal Char Reactivity to O2 and CO2, Based on Preparation Conditions

Energy & fuels, 2017-10, Vol.31 (10), p.10727-10744

2017

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Transport, Zwitterions, and the Role of Water for CO2 Adsorption in Mesoporous Silica-Supported Amine Sorbents

Journal of physical chemistry. C, 2013-12, Vol.117 (50), p.26617-26627

2013

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Checking the Salpeter enhancement of nuclear reactions at intermediate coupling in asymmetric mixtures

Physics of plasmas, 2019-01, Vol.26 (1)

2019

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Transport properties of an asymmetric mixture in the dense plasma regime

Physical review. E, 2016-06, Vol.93 (6), p.063208-063208, Article 063208

2016

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Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Analysis of Eutectic Bis(2,2-dinitropropyl) Acetal/Formal Degradation Profile: Nontargeted Identification of Antioxidant Derivatives

ACS omega, 2022-10, Vol.7 (39), p.35316-35325

2022

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Correlation and transport properties for mixtures at constant pressure and temperature

Physical review. E, 2017-06, Vol.95 (6-1), p.063202-063202, Article 063202

2017

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Enhancement factor of nuclear reactions in partially ionized plasmas and asymmetric mixtures

Contributions to plasma physics (1988), 2019-05, Vol.59 (4-5), p.n/a

2019

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Static and dynamic properties of multi-ionic plasma mixtures

Physical review. E, 2020-03, Vol.101 (3-1), p.033207-033207, Article 033207

2020

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Determination of the headgroup-gold(111) potential surface for alkanethiol self-assembled monolayers by ab initio calculation

Chemical physics letters, 1998-04, Vol.286 (1), p.40-45

1998

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Molecular dynamics studies of electron-ion temperature equilibration in hydrogen plasmas within the coupled-mode regime

Physical review. E, 2017-04, Vol.95 (4-1), p.043202-043202, Article 043202

2017

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New insight: Nitrosation of n-phenyl-β-naphthylamine in the early stage of nitroplasticizer aging

Polymer degradation and stability, 2023-11, Vol.217 (C), p.110541, Article 110541

2023

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Explicit inclusion of electronic correlation effects in molecular dynamics

Physical review. B, 2017-07, Vol.96 (3), Article 035111

2017

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Molecular and solid-state properties of tris-(8-hydroxyquinolate)-aluminum

Physical review. B, Condensed matter, 2000-06, Vol.61 (23), p.15804-15811

2000

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Alternative first-principles calculation of entropy for liquids

Physical review. E, 2016-04, Vol.93 (4), p.042119-042119, Article 042119

2016

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A mechanism for the decomposition of dinitropropyl compounds

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (37), p.5121-5126

2007

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Effect of correlation on viscosity and diffusion in molecular-dynamics simulations

Physical review. E, Statistical, nonlinear, and soft matter physics, 2014-10, Vol.90 (4), p.043101-043101, Article 043101

2014

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Evidence for out-of-equilibrium states in warm dense matter probed by x-ray Thomson scattering

Physical review. E, Statistical, nonlinear, and soft matter physics, 2015-01, Vol.91 (1), p.011101-011101, Article 011101

2015

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Low-temperature oxidative degradation of PBX 9501 and its components determined via molecular weight analysis of the Poly[ester urethane] binder

Polymer degradation and stability, 2009-12, Vol.94 (12), p.2231-2240

2009

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Bonding and structure in dense multi-component molecular mixtures

The Mechanism of CO2 Adsorption under Dry and Humid Conditions in Mesoporous Silica-Supported Amine Sorbents

Bayesian calibration of thermodynamic models for the uptake of CO2 in supported amine sorbents using ab initio priors

Unified Concept of Effective One Component Plasma for Hot Dense Plasmas

The Hydration Number of Li+ in Liquid Water

Mott Transition in a Metallic Liquid: Gutzwiller Molecular Dynamics Simulations

Thermal Stability of a Eutectic Mixture of Bis(2,2‐dinitropropyl) Acetal and Formal: Part C. Kinetic Compensation Effect

Modeling Effects of Annealing on Coal Char Reactivity to O2 and CO2, Based on Preparation Conditions

Transport, Zwitterions, and the Role of Water for CO2 Adsorption in Mesoporous Silica-Supported Amine Sorbents

Checking the Salpeter enhancement of nuclear reactions at intermediate coupling in asymmetric mixtures

Transport properties of an asymmetric mixture in the dense plasma regime

Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Analysis of Eutectic Bis(2,2-dinitropropyl) Acetal/Formal Degradation Profile: Nontargeted Identification of Antioxidant Derivatives

Correlation and transport properties for mixtures at constant pressure and temperature

Enhancement factor of nuclear reactions in partially ionized plasmas and asymmetric mixtures

Static and dynamic properties of multi-ionic plasma mixtures

Determination of the headgroup-gold(111) potential surface for alkanethiol self-assembled monolayers by ab initio calculation

Molecular dynamics studies of electron-ion temperature equilibration in hydrogen plasmas within the coupled-mode regime

New insight: Nitrosation of n-phenyl-β-naphthylamine in the early stage of nitroplasticizer aging

Explicit inclusion of electronic correlation effects in molecular dynamics

Molecular and solid-state properties of tris-(8-hydroxyquinolate)-aluminum

Alternative first-principles calculation of entropy for liquids

A mechanism for the decomposition of dinitropropyl compounds

Effect of correlation on viscosity and diffusion in molecular-dynamics simulations

Evidence for out-of-equilibrium states in warm dense matter probed by x-ray Thomson scattering

Low-temperature oxidative degradation of PBX 9501 and its components determined via molecular weight analysis of the Poly[ester urethane] binder

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