Cynthia J. Jameson
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View article: Physisorption and Ortho-Para Conversion of H<sub>2</sub> on Maghemite γ-Fe<sub>2</sub>O<sub>3</sub> (001) Surface: A Computational Study
Physisorption and Ortho-Para Conversion of H<sub>2</sub> on Maghemite γ-Fe<sub>2</sub>O<sub>3</sub> (001) Surface: A Computational Study Open
View article: Interfacial Separations by a Polydimethylsiloxane Layer. Molecular Modeling of Coated Stir Bar Extraction of Organics from Aqueous Solutions
Interfacial Separations by a Polydimethylsiloxane Layer. Molecular Modeling of Coated Stir Bar Extraction of Organics from Aqueous Solutions Open
Separation processes relying on interfacial interactions, such as the stir bar sorptive extraction represent one of the most critical methods of analyte trace organic detection and extraction in environmental, food, and biomedical samples.…
View article: Optimizing Molecular Simulations of Reverse Osmosis Based Concentration Processes Using Molecular Replication
Optimizing Molecular Simulations of Reverse Osmosis Based Concentration Processes Using Molecular Replication Open
View article: Bond-Aware Moving Clusters of Atomic Trajectories with Relaxed Persistency
Bond-Aware Moving Clusters of Atomic Trajectories with Relaxed Persistency Open
View article: (054) Novel Use of Clitoral Pulse Sensor During Arousal
(054) Novel Use of Clitoral Pulse Sensor During Arousal Open
Introduction Penile erection is well understood in men and has been extensively studied. The Erectile Hardness Score is a commonly used tool to quantify the strength of an erection. No such measurement tool exists for women. This study bui…
View article: (125) Measurement of Clitoral Pulse Amplitude with a Wearable Device
(125) Measurement of Clitoral Pulse Amplitude with a Wearable Device Open
Introduction Penile erection is well understood and has been extensively studied. The Erectile Hardness Score is a commonly used tool to quantify the strength of an erection. Few such measurement tools exists for women. This study builds o…
View article: Compressing Generalized Trajectories of Molecular Motion for Efficient Detection of Chemical Interactions
Compressing Generalized Trajectories of Molecular Motion for Efficient Detection of Chemical Interactions Open
View article: Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane
Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane Open
Recent experimental work has shown zeolite membrane-based separation as a promising potential technology for Kr/Xe gas mixtures due to its much lower energy requirements in comparison to cryogenic distillation, the conventional separation …
View article: Novel methods to characterise spatial distribution and enantiomeric composition of usnic acids in four Icelandic lichens
Novel methods to characterise spatial distribution and enantiomeric composition of usnic acids in four Icelandic lichens Open
View article: Understanding Separation Mechanisms of Monoatomic Gases, Such as Kr and Xe, via DD3R Zeolite Membrane Using Molecular Dynamics
Understanding Separation Mechanisms of Monoatomic Gases, Such as Kr and Xe, via DD3R Zeolite Membrane Using Molecular Dynamics Open
Noble gas fission byproducts, such as Kr and Xe, are generated within nuclear power reactors are currently being discharged into the atmosphere. This practice has a major economic drawback because of the high value associated with some of …
View article: Molecular Dynamics Simulations of Enantiomeric Separations as an Interfacial Process in HPLC
Molecular Dynamics Simulations of Enantiomeric Separations as an Interfacial Process in HPLC Open
Since chromatographic separation is a dynamic process, with the interactions between the drug and the chiral stationary phase mediated by the solvent, no single interacting structure, such as could be found by minimizing the energy, could …
View article: Interfacial Thermal Conductivity and Its Anisotropy
Interfacial Thermal Conductivity and Its Anisotropy Open
There is a significant effort in miniaturizing nanodevices, such as semi-conductors, currently underway. However, a major challenge that is a significant bottleneck is dissipating heat generated in these energy-intensive nanodevices. In ad…
View article: Transport of Fluids in Nanoporous Materials
Transport of Fluids in Nanoporous Materials Open
Fluid transport in narrow pores is central to the design and optimization of nanoporous materials in industrial applications, such as catalysis, nanofluids, electrochemical batteries, and membrane separation. However, due to the strong pot…
View article: Computational Molecular Modeling of Transport Processes in Nanoporous Membranes
Computational Molecular Modeling of Transport Processes in Nanoporous Membranes Open
In this report we have discussed the important role of molecular modeling, especially the use of the molecular dynamics method, in investigating transport processes in nanoporous materials such as membranes. With the availability of high p…
View article: Computational Molecular Modeling of Transport Processes in Nanoporous Membranes
Computational Molecular Modeling of Transport Processes in Nanoporous Membranes Open
In this report we have discussed the important role of molecular modeling, especially the use of the molecular dynamics method, in investigating transport processes in nanoporous materials such as membranes. With the availability of high p…
View article: Recent Advances in Theoretical and Physical Aspects of NMR Chemical Shifts
Recent Advances in Theoretical and Physical Aspects of NMR Chemical Shifts Open
In the first part of this review, theoretical aspects of nuclear magnetic shielding include (a) general theory, for example, newly developed approaches in relativistic theory of nuclear shielding, the relation between the spin-rotation ten…