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Orbital-free density functional theory for materials research

Journal of materials research, 2018-04, Vol.33 (7), p.777-795

2018

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Ab initio study of longitudinal and transverse dynamics, including fast sound, in molten UO2 and liquid Li–Pb alloys

The Journal of chemical physics, 2023-12, Vol.159 (23)

2023

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Aminas biógenas en alimentos: métodos moleculares para la detección e identificación de bacterias productoras

Arbor, 2020-06, Vol.196 (795), p.545-a545

2020

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Behavioral aspects of nurse practitioners associated with optimal multiple sclerosis care in Spain

PloS one, 2021-12, Vol.16 (12), p.e0261050-e0261050

2021

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A deep learning framework to emulate density functional theory

npj computational materials, 2023-08, Vol.9 (1), p.158-9, Article 158

2023

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Vapor-Phase Infiltration of Polymer of Intrinsic Microporosity 1 (PIM-1) with Trimethylaluminum (TMA) and Water: A Combined Computational and Experimental Study

The journal of physical chemistry. B, 2022-08, Vol.126 (31), p.5920-5930

2022

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Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids

Journal of chemical theory and computation, 2017-08, Vol.13 (8), p.3684-3695

2017

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Orbital free ab initio simulations of liquid alkaline earth metals: from pseudopotential construction to structural and dynamic properties

Journal of physics. Condensed matter, 2014-11, Vol.26 (46), p.465102-465102

2014

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Regret and Therapeutic Decisions in Multiple Sclerosis Care: Literature Review and Research Protocol

Frontiers in neurology, 2021-06, Vol.12, p.675520-675520

2021

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Mastitis Modifies the Biogenic Amines Profile in Human Milk, with Significant Changes in the Presence of Histamine, Putrescine and Spermine

PloS one, 2016-09, Vol.11 (9), p.e0162426-e0162426

2016

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Relative Fundamental Frequency: Only for Hyperfunctional Voices? A Pilot Study

Bioengineering (Basel), 2024-05, Vol.11 (5), p.475

2024

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Exploring Challenging Properties of Liquid Metallic Systems through Machine Learning: Liquid La and Li 4 Pb Systems

Journal of chemical theory and computation, 2024-04, Vol.20 (8), p.3285-3297

2024

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Detection and Characterization of Streptococcus thermophilus Bacteriophages by Use of the Antireceptor Gene Sequence

Applied and Environmental Microbiology, 2005-10, Vol.71 (10), p.6096-6103

2005

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Exploring Challenging Properties of Liquid Metallic Systems through Machine Learning: Liquid La and Li4Pb Systems

Journal of chemical theory and computation, 2024-04, Vol.20 (8), p.3285-3297

2024

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An Efficient Deep Learning Scheme To Predict the Electronic Structure of Materials and Molecules: The Example of Graphene-Derived Allotropes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-11, Vol.124 (45), p.9496-9502

2020

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Assessing care-related regret among nurses specialized in multiple sclerosis: A psychometric analysis of a new assessment battery

Multiple sclerosis journal - experimental, translational and clinical, 2022-10, Vol.8 (4), p.20552173221144226-20552173221144226

2022

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Behavior of Proteins under Pressure from Experimental Pressure-Dependent Structures

The journal of physical chemistry. B, 2021-06, Vol.125 (23), p.6179-6191

2021

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The biogenic amines putrescine and cadaverine show in vitro cytotoxicity at concentrations that can be found in foods

Scientific reports, 2019-01, Vol.9 (1), p.120, Article 120

2019

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Covid-19 in a patient with multiple sclerosis treated with natalizumab: May the blockade of integrins have a protective role?

Multiple sclerosis and related disorders, 2020-09, Vol.44, p.102250-102250, Article 102250

2020

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Bacteriocins against biogenic amine-accumulating lactic acid bacteria in cheese: Nisin A shows the broadest antimicrobial spectrum and prevents the formation of biofilms

Journal of dairy science, 2024-07, Vol.107 (7), p.4277-4287

2024

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Comparative analysis of the in vitro cytotoxicity of the dietary biogenic amines tyramine and histamine

Food chemistry, 2016-04, Vol.197 (Pt A), p.658-663

2016

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Enterocin AS‐48 inhibits the growth of – and biofilm formation by – lactic acid bacteria responsible for the accumulation of biogenic amines in cheese

International journal of food science & technology, 2023-11, Vol.58 (11), p.5865-5873

2023

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Orbital-free density functional theory simulation of collective dynamics coupling in liquid Sn

The Journal of chemical physics, 2018-09, Vol.149 (9), p.094504-094504

2018

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Structure and dynamics of the liquid 3d transition metals near melting. An ab initio study

Journal of physics. Condensed matter, 2020-05, Vol.32 (21), p.214005-214005

2020

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Stress in nurses: The 100 top‐cited papers published in nursing journals

Journal of advanced nursing, 2018-07, Vol.74 (7), p.1488-1504

2018

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Orbital-free density functional theory for materials research

Ab initio study of longitudinal and transverse dynamics, including fast sound, in molten UO2 and liquid Li–Pb alloys

Aminas biógenas en alimentos: métodos moleculares para la detección e identificación de bacterias productoras

Behavioral aspects of nurse practitioners associated with optimal multiple sclerosis care in Spain

A deep learning framework to emulate density functional theory

Vapor-Phase Infiltration of Polymer of Intrinsic Microporosity 1 (PIM-1) with Trimethylaluminum (TMA) and Water: A Combined Computational and Experimental Study

Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids

Orbital free ab initio simulations of liquid alkaline earth metals: from pseudopotential construction to structural and dynamic properties

Regret and Therapeutic Decisions in Multiple Sclerosis Care: Literature Review and Research Protocol

Mastitis Modifies the Biogenic Amines Profile in Human Milk, with Significant Changes in the Presence of Histamine, Putrescine and Spermine

Relative Fundamental Frequency: Only for Hyperfunctional Voices? A Pilot Study

Exploring Challenging Properties of Liquid Metallic Systems through Machine Learning: Liquid La and Li 4 Pb Systems

Detection and Characterization of Streptococcus thermophilus Bacteriophages by Use of the Antireceptor Gene Sequence

Exploring Challenging Properties of Liquid Metallic Systems through Machine Learning: Liquid La and Li4Pb Systems

An Efficient Deep Learning Scheme To Predict the Electronic Structure of Materials and Molecules: The Example of Graphene-Derived Allotropes

Assessing care-related regret among nurses specialized in multiple sclerosis: A psychometric analysis of a new assessment battery

Behavior of Proteins under Pressure from Experimental Pressure-Dependent Structures

The biogenic amines putrescine and cadaverine show in vitro cytotoxicity at concentrations that can be found in foods

Covid-19 in a patient with multiple sclerosis treated with natalizumab: May the blockade of integrins have a protective role?

Bacteriocins against biogenic amine-accumulating lactic acid bacteria in cheese: Nisin A shows the broadest antimicrobial spectrum and prevents the formation of biofilms

Comparative analysis of the in vitro cytotoxicity of the dietary biogenic amines tyramine and histamine

Enterocin AS‐48 inhibits the growth of – and biofilm formation by – lactic acid bacteria responsible for the accumulation of biogenic amines in cheese

Orbital-free density functional theory simulation of collective dynamics coupling in liquid Sn

Structure and dynamics of the liquid 3d transition metals near melting. An ab initio study

Stress in nurses: The 100 top‐cited papers published in nursing journals

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