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ReSpect: Relativistic spectroscopy DFT program package

The Journal of chemical physics, 2020-05, Vol.152 (18), p.184101-184101

2020

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Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals

Journal of chemical theory and computation, 2015-09, Vol.11 (9), p.4169-4181

2015

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Arbitrary-Order Density Functional Response Theory from Automatic Differentiation

Journal of chemical theory and computation, 2010-07, Vol.6 (7), p.1971-1980

2010

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Intervention to diminish dehydration and kidney damage among sugarcane workers

Scandinavian Journal of Work, Environment ＆ Health, 2018-01, Vol.44 (1), p.16-24

2018

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Cystatin C Properties Crucial for Uptake and Inhibition of Intracellular Target Enzymes

The Journal of biological chemistry, 2013-06, Vol.288 (23), p.17019-17029

2013

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Differentiable but exact formulation of density-functional theory

The Journal of chemical physics, 2014-05, Vol.140 (18), p.18A518-18A518

2014

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Analytic cubic and quartic force fields using density-functional theory

The Journal of chemical physics, 2014-01, Vol.140 (3), p.034103-034103

2014

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Pathophysiological Mechanisms by which Heat Stress Potentially Induces Kidney Inflammation and Chronic Kidney Disease in Sugarcane Workers

Nutrients, 2020-06, Vol.12 (6), p.1639

2020

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Validation and correlation of high-sensitive troponin I and troponin T in the emergency department

BMC cardiovascular disorders, 2024-10, Vol.24 (1), p.551-9, Article 551

2024

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Pregnancy-induced changes in serum concentrations of perfluoroalkyl substances and the influence of kidney function

Environmental health, 2020-07, Vol.19 (1), p.1-80, Article 80

2020

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Preventing kidney injury among sugarcane workers: promising evidence from enhanced workplace interventions

Occupational and environmental medicine (London, England), 2020-08, Vol.77 (8), p.527-534

2020

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Workload and cross-harvest kidney injury in a Nicaraguan sugarcane worker cohort

Occupational and environmental medicine (London, England), 2019-11, Vol.76 (11), p.818-826

2019

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Point-of-care biomarkers for prediction of kidney function trajectory among sugarcane cutters: a comparative test accuracy study

BMJ open, 2022-11, Vol.12 (11), p.e060364-e060364

2022

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Sampling microcanonical ensembles of trajectories using harmonic approximation in internal coordinates

The Journal of chemical physics, 2014-08, Vol.141 (6), p.064108-064108

2014

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The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An ab Initio Approach through the Coupled Perturbed Kohn–Sham Scheme

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (45), p.12631-12637

2011

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Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients

The Journal of chemical physics, 2014-10, Vol.141 (13), p.134107-134107

2014

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The work-recovery cycle of kidney strain and inflammation in sugarcane workers following repeat heat exposure at work and at home

European journal of applied physiology, 2024-10

2024

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Electronic spectroscopy of UO22+, NUO+ and NUN: an evaluation of time-dependent density functional theory for actinides

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (13), p.6249-6259

2011

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Isoorbital indicators for current density functional theory

Molecular physics, 2013-07, Vol.111 (9-11), p.1295-1302

2013

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Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution

Physical chemistry chemical physics : PCCP, 2016-03, Vol.18 (11), p.7728-7736

2016

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An explorative study of inflammation-related proteins associated with kidney injury in male heat-stressed workers

Journal of thermal biology, 2023-02, Vol.112, p.103433-103433, Article 103433

2023

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Near-edge x-ray absorption and natural circular dichroism spectra of L-alanine: A theoretical study based on the complex polarization propagator approach

The Journal of chemical physics, 2007-10, Vol.127 (16), p.165104-165104-8

2007

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Effectiveness and Safety of the European Society of Cardiology 0-/1-h Troponin Rule-Out Protocol: The Design of the ESC-TROP Multicenter Implementation Study

Cardiology, 2020, Vol.145 (11), p.685-692

2020

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Internalization of cystatin C in human cell lines

The FEBS journal, 2008-09, Vol.275 (18), p.4571-4582

2008

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Insufficient mixing of thawed serum samples leading to erroneous results - experience from a field study and use of a correction procedure

Scandinavian journal of clinical and laboratory investigation, 2020-02, Vol.80 (2), p.99-105

2020

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ReSpect: Relativistic spectroscopy DFT program package

Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals

Arbitrary-Order Density Functional Response Theory from Automatic Differentiation

Intervention to diminish dehydration and kidney damage among sugarcane workers

Cystatin C Properties Crucial for Uptake and Inhibition of Intracellular Target Enzymes

Differentiable but exact formulation of density-functional theory

Analytic cubic and quartic force fields using density-functional theory

Pathophysiological Mechanisms by which Heat Stress Potentially Induces Kidney Inflammation and Chronic Kidney Disease in Sugarcane Workers

Validation and correlation of high-sensitive troponin I and troponin T in the emergency department

Pregnancy-induced changes in serum concentrations of perfluoroalkyl substances and the influence of kidney function

Preventing kidney injury among sugarcane workers: promising evidence from enhanced workplace interventions

Workload and cross-harvest kidney injury in a Nicaraguan sugarcane worker cohort

Point-of-care biomarkers for prediction of kidney function trajectory among sugarcane cutters: a comparative test accuracy study

Sampling microcanonical ensembles of trajectories using harmonic approximation in internal coordinates

The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An ab Initio Approach through the Coupled Perturbed Kohn–Sham Scheme

Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients

The work-recovery cycle of kidney strain and inflammation in sugarcane workers following repeat heat exposure at work and at home

Electronic spectroscopy of UO22+, NUO+ and NUN: an evaluation of time-dependent density functional theory for actinides

Isoorbital indicators for current density functional theory

Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution

An explorative study of inflammation-related proteins associated with kidney injury in male heat-stressed workers

Near-edge x-ray absorption and natural circular dichroism spectra of L-alanine: A theoretical study based on the complex polarization propagator approach

Effectiveness and Safety of the European Society of Cardiology 0-/1-h Troponin Rule-Out Protocol: The Design of the ESC-TROP Multicenter Implementation Study

Internalization of cystatin C in human cell lines

Insufficient mixing of thawed serum samples leading to erroneous results - experience from a field study and use of a correction procedure

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