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Electrochimica Acta, ISSN 0013-4686, 10/2019, Volume 320, p. 134636
This work explores a qualitative appraisal of lead acid battery electrodes by Electrochemical Impedance Spectroscopy. Lead acid cells behavior has been... 
Lead-acid battery | EIS spectroscopy | Randle circuit | Current distribution | CPE | ELECTROCHEMISTRY | STATE-OF-CHARGE | BEHAVIOR | OPTIMIZATION | HEALTH | SPECTRA | Lead acid batteries | Circuits | Batteries | Electrodes | Electrolytic cells | Acids | Equivalence | Spectrum analysis | Dependence | Homogeneity | Electrolytes | Electrochemical impedance spectroscopy | Equivalent circuits
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 01/2018, Volume 39, Issue 2, pp. 130 - 138
Journal Article
Journal of Molecular Modeling, ISSN 1610-2940, 06/2017, Volume 23, Issue 6
Correlations between DFT and experimental measurements on Zn2+ and Ni2+ chiral meso-(alpha, beta-unsaturated)porphyrins were performed using Kohn-Sham... 
Core distortion | Electronic structure | DFT | Zn and Ni chiral porphyrins | Conformational barriers | STORAGE | BIOCHEMISTRY & MOLECULAR BIOLOGY | NONVOLATILE MEMORY | NICKEL(II) | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | BIOPHYSICS
Journal Article
JOURNAL OF COMPUTATIONAL CHEMISTRY, ISSN 0192-8651, 01/2018, Volume 39, Issue 2, pp. 130 - 138
The molecular doping of graphene with pi-stacked conjugated molecules has been widely studied during the last 10 years, both experimentally or using... 
LAYER GRAPHENE | FIELD-EFFECT TRANSISTOR | OXIDE | AB-INITIO | OXYGEN REDUCTION REACTION | molecular doping | NONCOVALENT INTERACTIONS | CHEMISTRY, MULTIDISCIPLINARY | graphene | porphyrins | AROMATIC-MOLECULES | QUANTUM DOTS | phthalocyanines | density functional theory | CHARGE-TRANSFER | ELECTRONIC-STRUCTURE
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 05/2018, Volume 747, pp. 149 - 155
We present in this work a fabrication chain of an electrochemical sensor platform based on detection of Cr3+ and Co2+ metallic ions species. Through molecular... 
DPN patterning | Electrochemical sensor platform | Au thin film fabrication | Electrochemical impedance spectroscopy | RECOGNITION | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | CHEMISTRY, PHYSICAL | NANOSCALE | CHALLENGES
Journal Article
Materials Science & Engineering C, ISSN 0928-4931, 01/2020, Volume 106, p. 110146
Location of small gastric or colorectal tumors during a laparoscopic procedure is often imprecise and can be misleading. There is a real need for a compatible... 
SYSTEM | ENDOSCOPY | MATERIALS SCIENCE, BIOMATERIALS | RESECTION | Mucosa | Laparoscopy | Structural steels | Stainless steels | Fabrication | Endoscopes | Intestine | Surgery | Sterilization | Colon | Endoscopy | Compatibility | Localization | Tags | Tumors
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 01/2017, Volume 1099, pp. 29 - 35
Conformations of the optimized structures: (A) ZnBCP-8 (αβαβ); (B) ZnBCP-8 (αααα); (C) NiBCP-8 (αβαβ); (D) NiBCP-8 (αααα). [Display omitted] •DFT... 
Conformational stability | M-BCP8 (M = Zn, Ni) bridled chiral porphyrins | DFT | SURFACE | CHEMISTRY, PHYSICAL | ADSORPTION | M-BCP8 (M = Zn | Ni) bridled chiral porphyrins | MOLECULES
Journal Article
Physica Scripta, ISSN 0031-8949, 09/2012, Volume 86, Issue 3, pp. 35707 - 6
The adsorption mechanisms of L- and LL-cysteine dimers on Au(111) surface was investigated by means of periodic density functional theory calculations. The... 
THIOLS | GOLD | SELF-ASSEMBLED MONOLAYERS | PHYSICS, MULTIDISCIPLINARY | ADSORPTION | SURFACES | Competition | Gold | Electronic structure | Adsorption | Mathematical analysis | Surface chemistry | Density functional theory | Dimers
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 05/2018, Volume 747, p. 149
We present in this work a fabrication chain of an electrochemical sensor platform based on detection of Cr.sup.3+ and Co.sup.2+ metallic ions species. Through... 
Thin films | Usage | Analysis | Epitaxy | Integrated circuit fabrication | Dielectric films | Sensors | Electric properties
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 05/2018, Volume 747, p. 149
We present in this work a fabrication chain of an electrochemical sensor platform based on detection of Cr3+ and Co2+ metallic ions species. Through molecular... 
Drawing | Chemical sensors | Atomic force microscopy | Offset printing | Nyquist plots | Cobalt | High vacuum | Inks | Tip speed | Complexity | Thin films | Spectrum analysis | Dwell time | Molecular beam epitaxy | Sensors | Equivalent circuits | Gold | Ions | Molecular chains | Substrates | Organic chemistry | Chromium | Molecular beams | Nanotechnology | Electrochemical impedance spectroscopy | Tips
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 01/2017, Volume 1099, p. 29
Conformations of the optimized structures: (A) ZnBCP-8 ([alpha][beta][alpha][beta]); (B) ZnBCP-8 ([alpha][alpha][alpha][alpha]); (C) NiBCP-8... 
Zinc compounds | Porphyrins
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 12/2015, Volume 1700, Issue 1
Conference Proceeding
Computational and Theoretical Chemistry, ISSN 2210-271X, 08/2012, Volume 993, pp. 106 - 112
[Display omitted] ► Vibrational properties of adenine adsorbed on Au(100) were simulated. ► Different computational approaches were used to calculate the... 
First-principles calculations | Vibrational properties | Metal–organic interface | Metal-organic interface | ELECTRONIC-PROPERTIES | NUCLEIC-ACID COMPONENTS | ENERGY | SILVER | COMPLEXES | CHEMISTRY, PHYSICAL | ENHANCED RAMAN-SCATTERING | ADSORPTION | NANOPARTICLES | SPECTROSCOPY | DENSITY-FUNCTIONAL THEORY | Purines | Analysis
Journal Article
Journal of Molecular Modeling, ISSN 1610-2940, 06/2017, Volume 23, Issue 6, p. 1
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1007/s00894-017-3350-8... 
Zinc compounds | Medical colleges | Analysis | Porphyrins
Journal Article
Physica Scripta, ISSN 0031-8949, 05/2015, Volume 90, Issue 5, pp. 55803 - 11
Journal Article
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 07/2017, Volume 1112, pp. 104 - 110
Charge redistribution, Δρ(r→), as effect of the correlation in DPC-Dy. Difference between GGA-PBE and J = 1, U=6eV. Left: spin-up, right: spin-down. Red/blue... 
PSEUDOPOTENTIALS | DFT | SPIN | SPINTRONICS | SURFACE | CHEMISTRY, PHYSICAL | ORBITALS | SINGLE-MOLECULE MAGNETS | PHTHALOCYANINES | ADSORPTION
Journal Article
Revista de Chimie, ISSN 0034-7752, 06/2018, Volume 69, Issue 6, pp. 1527 - 1532
There are few studies analyzing the correlation between liver cirrhosis and cardiac arrhythmias. Still, factors triggering cardiac arrhythmias occur in many... 
Liver cirrhosis | Rhythm disorders | Arrhythmias | ENGINEERING, CHEMICAL | arrhythmias | CARDIOMYOPATHY | NONALCOHOLIC CIRRHOSIS | CHEMISTRY, MULTIDISCIPLINARY | liver cirrhosis | rhythm disorders
Journal Article
Revista de Chimie, ISSN 0034-7752, 04/2018, Volume 69, Issue 4, pp. 881 - 885
The prevalance of depression and anxiety is higher at the patients diagnosticated with viral liver disease. The corelation between stress and chronic liver... 
Psychatric disease | Chronic hepatitis | Arrhytmia risk | Stress | arrhytmia risk | ENGINEERING, CHEMICAL | stress | DEPRESSION | ETIOLOGY | chronic hepatitis | psychatric disease | CIRRHOSIS | CHRONIC HEPATITIS-C | CHEMISTRY, MULTIDISCIPLINARY | SEVERITY
Journal Article
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