Lista de obras - Jeremy G. Frey - Dominio Público Uruguay

266 nm Photolysis of HOCl and DOCl: laser-excitation fluorescence detection of OH and OD

article

90nm resolution reconstruction from a polychromatic signal using monochromatic phase retrieval techniques

article

A Computer-Aided Drug Discovery System for Chemistry Teaching

A Semantic eScience Platform for Chemistry

article

A computer-aided drug discovery system for chemistry teaching

artículo científico publicado en 2006

A further structural examination of PVC gels

A new topological descriptor for water network structure

scientific article published on 10 July 2019

A new wave of innovation in Semantic web tools for drug discovery

article

A semantic datagrid for combinatorial chemistry

Ab initio calculations on the ground and low-lying electronic states of the Cl3 radical: emission from Cl3

Adiabatic and diabatic approaches to bound state calculations

article

Adiabatic and diabatic representations, coordinate and unitary transformations: coupled oscillators

An accurate calculation of the ground state energy of the helium atom and the hydrogen negative ion using hyperspherical coordinates

article published in 1987

An e-science environment for service crystallography--from submission to dissemination

artículo científico publicado en 2006

Analysis of time-of-flight data constraints and error bars

Anion-directed assembly: the first fluoride-directed double helix

artículo científico publicado en 2003

Are Distributed Ledger Technologies the panacea for food traceability?

article published in 2019

Artificial intelligence and ethics within the food sector: Developing a common language for technology adoption across the supply chain

artículo científico publicado en 2022

Bringing chemical data onto the Semantic Web.

artículo científico publicado en 2006

Calculation of non-adiabatic matrix elements

ChemInform Abstract: Chemical Information Matters: An E-Research Perspective on Information and Data Sharing in the Chemical Sciences

scholarly article by Colin L. Bird & Jeremy G. Frey published 12 September 2013 in ChemInform

ChemTrove: enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources.

artículo científico publicado en 2015

Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences

artículo científico publicado en 2013

Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance

artículo científico publicado en 2013

Circular differential second harmonic generation: the air/water interface of aqueous tryptophan and boc-trp-trp

Collection, Curation, Citation at Source: Publication@Source 10 Years On

CombeChem: A Case Study in Provenance and Annotation Using the Semantic Web

Combinatorial Chemistry and the Grid

Combining System Introspection with User-Provided Description to Support Configuration and Understanding of Pervasive systems

Connecting Chemistry with Global Challenges through Data Standards

Considering the ethical implications of digital collaboration in the Food Sector

artículo científico publicado en 2021

Correction to: A new topological descriptor for water network structure

artículo científico publicado en 2019

Creating context for the experiment record. User-defined metadata: investigations into metadata usage in the LabTrove ELN.

artículo científico publicado en 2014

Crown ethers at the aqueous solution–air interface. Part 2. Electrolyte effects, ethylene oxide hydration and temperature behaviour

artículo científico publicado en 2011

Crown ethers at the aqueous solution–air interface: 1. Assignments and surface spectroscopy

artículo científico publicado en 2011

Curation of Laboratory Experimental Data as Part of the Overall Data Lifecycle

article

Dark Lab or Smart Lab: The Challenges for 21st Century Laboratory Software

scholarly article by Jeremy G. Frey published November 2004 in Organic Process Research & Development

Data Curation Issues in the Chemical Sciences

Data Science Professional Uncovered: How the EDISON Project will Contribute to a Widely Accepted Profile for Data Scientists

scholarly article published November 2015

Data management matters

artículo científico publicado en 2022

Digital IUPAC

Discussion on the paper by Barndorff-Nielsen, Gill and Jupp

article

Documentation and Visualisation of Workflows for Effective Communication, Collaboration and Publication @ Source

ECSES – examining crystal structures using `e-science': a demonstrator employing web and grid services to enhance user participation in crystallographic experiments

Effects of using structured templates for recalling chemistry experiments

artículo científico publicado en 2016

Electronic lab notebooks: can they replace paper?

artículo científico publicado en 2017

Enantioselective binding of dipeptides using acyclic receptors

article published in 2001

Enhancing research publications using Rich Interactive Narratives

artículo científico publicado en 2012

Enzyme accessibility and solid supports: which molecular weight enzymes can be used on solid supports? An investigation using confocal Raman microscopy

artículo científico publicado en 2002

Excited vibrational states near dissociation in weakly bound triatomic systems

article

Experiences with a researcher-centric ELN.

artículo científico publicado en 2014

First steps towards semantic descriptions of electronic laboratory notebook records

artículo científico publicado en 2013

Full characterisation of a focussed extreme ultraviolet beam using a non-redundant array of apertures

Gas jet structure influence on high harmonic generation

artículo científico publicado en 2011

General discussion

Generalized ultrafast dispersion scans of continuum generation induced by sub-50fs chirped pulses in highly nonlinear tapered planar waveguides

Grid computing and biomolecular simulation.

artículo científico publicado en 2005

Grid-Enabling an Existing Instrument-Based National Service

Grid-based dynamic electronic publication: a case study using combined experiment and simulation studies of crown ethers at the air/water interface

artículo científico

High Resolution, Wide Field of View, Ptychographic Imaging of a Biological Sample using a High Harmonic Generation Source

High intensity pulse self-compression in short hollow core capillaries

artículo científico publicado en 2011

High-Throughput Structure/Function Screening of Materials and Catalysts with Multiple Spectroscopic Techniques

High-flux capillary based XUV source via the direct engineering of a laser induced ionization profile

article

Improved understanding of aqueous solubility modeling through topological data analysis

scientific article published on 20 November 2018

Infrared predissociation spectra of water dimer in a supersonic molecular beam

Interfacial second harmonic generation in the limit of weak orientational order: determining interfacial refractive index

Interferometric measurements of the dipole polarizability α of molecules between 300 K and 1100 K

Investigation of transport across an immiscible liquid/liquid interface. Electrochemical and second harmonic generation studies

Isomerization of cis-stilbene in rare-gas clusters: direct measurements of trans-stilbene formation rates on a picosecond time scale

article published in 1990

LabTrove: a lightweight, web based, laboratory "blog" as a route towards a marked up record of work in a bioscience research laboratory

artículo científico publicado en 2013

Laboratory notebooks in the digital era: the role of ELNs in record keeping for chemistry and other sciences

artículo científico publicado en 2013

Liquid–liquid interfaces

Lloyd’s mirror interference lithography with EUV radiation from a high-harmonic source

article

Making tea

scholarly article

Mass transfer enhancement produced by laser induced cavitation

Microscale diffraction measurements with a high harmonic soft x-ray source

Modal effects on pump-pulse propagation in an Ar-filled capillary

artículo científico publicado en 2010

Molecular Control of the Evolution of Capillary-Generated Soft X-ray High Harmonics

Molecular control of the evolution of capillary-generated soft X-ray high harmonics

Monitoring Water Contamination in Jet Fuel Using Silica-Based Bragg Gratings

Monolayer detection of ion binding at a crown ether-functionalised supramolecular surface via an integrated optical Bragg grating

artículo científico publicado en 2014

Multiphoton transitions for the harmonic oscillator

MyExperimentalScience, extending the ‘workflow’

Non-adiabatic corrections for coupled oscillators using Rayleigh-Schrödinger perturbation theory

Nonlinear optical mode coupling by ionization in an Ar-filled capillary with high-power short-pulse excitation

Nonlinear ptychographic coherent diffractive imaging

artículo científico publicado en 2016

Optimisation of X-ray harmonic generation in capillaries by pulse shaping using an acousto-optic programmable filter

Photodissociation of CS2 at 193 nm investigated by polarised photofragment translational spectroscopy

Photodissociation of hypohalous acids: from fundamentals to atmospheric chemistry

Photolysis of HOBr and DOBr at 266 nm: OH and OD product-state distributions

Photolysis of HOCl at 248 nm in a supersonic molecular beam: laser-induced fluorescence spectra of OH

article

Prediction of properties from simulations: a re-examination with modern statistical methods.

artículo científico publicado en 2005

Ptychographic coherent diffractive imaging with orthogonal probe relaxation

artículo científico publicado en 2016

QSAR analysis of substituent effects on tambjamine anion transporters.

artículo científico publicado en 2015

Quantitative Evaluation of Hard X-ray Damage to Biological Samples using EUV Ptychography

article

Quantitative and correlative extreme ultraviolet coherent imaging of mouse hippocampal neurons at high resolution

artículo científico publicado en 2020

Quantities, Units and Symbols in Physical Chemistry

article

RSC CICAG Open Chemical Science meeting: integrating chemical data from two symposia and a series of workshops

artículo científico publicado en 2022

Raman emission from the photolysis of NOCl at 266 nm

Raman spectra of NOCl and Cl2 photodissociation dynamics

article

Rayleigh Scattering of Laser and Synchrotron Radiation from Pulsed Free Jets of Arnand (N2O)nClusters

Resin bead micro-UV-visible absorption spectroscopy

artículo científico publicado en 2005

Scientific and technical data sharing: a trading perspective

artículo científico publicado en 2014

Second Harmonic Generation at Liquid/Liquid Interfaces

scholarly article

Second harmonic ellipsometry

article

Second harmonic generation by p-nitrophenol at water/air and water/heptane interfaces

article

Second harmonic generation from the air/water interface of an aqueous solution of the dipeptide Boc-Trp-Trp

article

Sensor Networks and Grid Middleware for Laboratory Monitoring

Simultaneous Measurement of Structure and XUV Dielectric Constant of Nanoscale Objects Using Diffraction of High Harmonic Radiation

Single Exposure Wavefront Curvature Estimation of High Harmonic Radiation by Diffraction from a Regular Array

Site distribution in resin beads as determined by confocal Raman spectroscopy.

artículo científico publicado en 2001

Smart Meeting Spaces for Knowledge Transfer

Soft-x-ray wavelength shift induced by ionization effects in a capillary

artículo científico publicado en 2006

Spatiotemporal phase-matching in capillary high-harmonic generation

Surface reconstruction amendment to the intrinsic sampling method

artículo científico publicado en 2018

Surface second harmonic generation

article by Jeremy G. Frey published August 1997 in Journal of Electroanalytical Chemistry

Synthesis of guanidinium-derived receptor libraries and screening for selective peptide receptors in water

artículo científico publicado en 2002

Synthesis, Conformational Studies and Binding Properties of Acyclic Receptors for N-Protected Amino Acids and Dipeptides

article

Tagging in combinatorial chemistry: the use of coloured and fluorescent beads

article

Taking FAIR on the ChIN: The Chemistry Implementation Network

scholarly article by Simon J. Coles et al published 31 January 2020 in Data Intelligence

Techniques in chemistry

The 248 nm photodissociation of DOCl: laser excitation fluorescence spectra of OD

article published in 1991

The Evolution of Digital Chemistry at Southampton

artículo científico

The adiabatic approach toe+2e-in the hyperspherical coordinates

The analysis of anisotropic photodissociation time-of-flight data obtained from a rotating source machine

article published in 1992

The calculation of the ground state energy of weakly bound van der waals trimers using the method of hyperspherical harmonics

article by Jeremy G. Frey & Brian J. Howard published November 1985 in Chemical Physics

The calculation of the ground state energy of weakly bound van der waals trimers using the method of hyperspherical harmonics I. The Born—Oppenheimer and adiabatic approximations

article by Jeremy G. Frey & Brian J. Howard published November 1985 in Chemical Physics

The collision of electronically excited Ba (6s6p 1P1) with CO2 and H2O clusters

The semantic smart laboratory: a system for supporting the chemical eScientist

artículo científico

The smartLab: Experimental and environmental control and monitoring of the chemistry laboratory

article published in 2009

The temperature dependence of surface second-harmonic generation from the air-water interface

article by A. J. FORDYCE et al published 20 April 2001 in Molecular Physics

The value of the Semantic Web in the laboratory

artículo científico publicado en 2009

Thermal decomposition of 3-ethyl-3-methyloxetan and 3,3-diethyloxetan

Three-particle hyperspherical coordinates: permutation-inversion symmetry properties

Too many tags spoil the metadata: investigating the knowledge management of scientific research with semantic web technologies ⬇️

artículo científico publicado en 2019

Towards predictable transmembrane transport: QSAR analysis of anion binding and transport

article

Ultra-broadband ptychography with self-consistent coherence estimation from a high harmonic source

Ultraviolet photolysis of HOCl: REMPI measurement of the relative population of chlorine atom (2P) spin–orbit states

Unexpected finite size effects in interfacial systems: Why bigger is not always better—Increase in uncertainty of surface tension with bulk phase width

artículo científico publicado en 2018

Usage and applications of Semantic Web techniques and technologies to support chemistry research

artículo científico publicado en 2014

User-Defined Metadata: Using Cues and Changing Perspectives

Web-based services for drug design and discovery

artículo científico publicado en 2011

What's in a Name? Quite a Lot, as it Happens!

Which Sites React First? Functional Site Distribution and Kinetics on Solid Supports Investigated Using Confocal Raman and Fluorescence Microscopy

article

Wide-field broadband extreme ultraviolet transmission ptychography using a high-harmonic source

e-Malaria: the schools Malaria project

article

Lista de obras de Jeremy G. Frey

266 nm Photolysis of HOCl and DOCl: laser-excitation fluorescence detection of OH and OD

90nm resolution reconstruction from a polychromatic signal using monochromatic phase retrieval techniques

A Computer-Aided Drug Discovery System for Chemistry Teaching

A Semantic eScience Platform for Chemistry

A computer-aided drug discovery system for chemistry teaching

A further structural examination of PVC gels

A new topological descriptor for water network structure

A new wave of innovation in Semantic web tools for drug discovery

A semantic datagrid for combinatorial chemistry

Ab initio calculations on the ground and low-lying electronic states of the Cl3 radical: emission from Cl3

Adiabatic and diabatic approaches to bound state calculations

Adiabatic and diabatic representations, coordinate and unitary transformations: coupled oscillators

An accurate calculation of the ground state energy of the helium atom and the hydrogen negative ion using hyperspherical coordinates

An e-science environment for service crystallography--from submission to dissemination

Analysis of time-of-flight data constraints and error bars

Anion-directed assembly: the first fluoride-directed double helix

Are Distributed Ledger Technologies the panacea for food traceability?

Artificial intelligence and ethics within the food sector: Developing a common language for technology adoption across the supply chain

Bringing chemical data onto the Semantic Web.

Calculation of non-adiabatic matrix elements

ChemInform Abstract: Chemical Information Matters: An E-Research Perspective on Information and Data Sharing in the Chemical Sciences

ChemTrove: enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources.

Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences

Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance

Circular differential second harmonic generation: the air/water interface of aqueous tryptophan and boc-trp-trp

Collection, Curation, Citation at Source: Publication@Source 10 Years On

CombeChem: A Case Study in Provenance and Annotation Using the Semantic Web

Combinatorial Chemistry and the Grid

Combining System Introspection with User-Provided Description to Support Configuration and Understanding of Pervasive systems

Connecting Chemistry with Global Challenges through Data Standards

Considering the ethical implications of digital collaboration in the Food Sector

Correction to: A new topological descriptor for water network structure

Creating context for the experiment record. User-defined metadata: investigations into metadata usage in the LabTrove ELN.

Crown ethers at the aqueous solution–air interface. Part 2. Electrolyte effects, ethylene oxide hydration and temperature behaviour

Crown ethers at the aqueous solution–air interface: 1. Assignments and surface spectroscopy

Curation of Laboratory Experimental Data as Part of the Overall Data Lifecycle

Dark Lab or Smart Lab: The Challenges for 21st Century Laboratory Software

Data Curation Issues in the Chemical Sciences

Data Science Professional Uncovered: How the EDISON Project will Contribute to a Widely Accepted Profile for Data Scientists

Data management matters

Digital IUPAC

Discussion on the paper by Barndorff-Nielsen, Gill and Jupp

Documentation and Visualisation of Workflows for Effective Communication, Collaboration and Publication @ Source

ECSES – examining crystal structures using `e-science': a demonstrator employing web and grid services to enhance user participation in crystallographic experiments

Effects of using structured templates for recalling chemistry experiments

Electronic lab notebooks: can they replace paper?

Enantioselective binding of dipeptides using acyclic receptors

Enhancing research publications using Rich Interactive Narratives

Enzyme accessibility and solid supports: which molecular weight enzymes can be used on solid supports? An investigation using confocal Raman microscopy

Excited vibrational states near dissociation in weakly bound triatomic systems

Experiences with a researcher-centric ELN.

First steps towards semantic descriptions of electronic laboratory notebook records

Full characterisation of a focussed extreme ultraviolet beam using a non-redundant array of apertures

Gas jet structure influence on high harmonic generation

General discussion

General discussion

Generalized ultrafast dispersion scans of continuum generation induced by sub-50fs chirped pulses in highly nonlinear tapered planar waveguides

Grid computing and biomolecular simulation.

Grid-Enabling an Existing Instrument-Based National Service

Grid-based dynamic electronic publication: a case study using combined experiment and simulation studies of crown ethers at the air/water interface

High Resolution, Wide Field of View, Ptychographic Imaging of a Biological Sample using a High Harmonic Generation Source

High intensity pulse self-compression in short hollow core capillaries

High-Throughput Structure/Function Screening of Materials and Catalysts with Multiple Spectroscopic Techniques

High-flux capillary based XUV source via the direct engineering of a laser induced ionization profile

Improved understanding of aqueous solubility modeling through topological data analysis

Infrared predissociation spectra of water dimer in a supersonic molecular beam

Interfacial second harmonic generation in the limit of weak orientational order: determining interfacial refractive index

Interferometric measurements of the dipole polarizability α of molecules between 300 K and 1100 K

Investigation of transport across an immiscible liquid/liquid interface. Electrochemical and second harmonic generation studies

Isomerization of cis-stilbene in rare-gas clusters: direct measurements of trans-stilbene formation rates on a picosecond time scale

LabTrove: a lightweight, web based, laboratory "blog" as a route towards a marked up record of work in a bioscience research laboratory

Laboratory notebooks in the digital era: the role of ELNs in record keeping for chemistry and other sciences

Liquid–liquid interfaces

Lloyd’s mirror interference lithography with EUV radiation from a high-harmonic source

Making tea

Mass transfer enhancement produced by laser induced cavitation

Microscale diffraction measurements with a high harmonic soft x-ray source

Modal effects on pump-pulse propagation in an Ar-filled capillary

Molecular Control of the Evolution of Capillary-Generated Soft X-ray High Harmonics