Fe(II) hydrolysis in aqueous solution: A DFT study
Keywords: Fe(II); Hydrolysis; DFT; PCM; Speciation;
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The novel use of phase change materials in refrigeration plant. Part 1: Experimental investigation
Keywords: PCM; Cool storage; Refrigeration; Air conditioning; Phase change material; Thermal energy storage
Ground and excited state properties of naphthazarin: Absorption spectroscopy and theoretical modeling study
Keywords: Naphthazarin; Factor analysis; DFT; PCM;
Performance of Time Dependent Density Functional Theory on excitations of medium sized molecules - Test on ionic forms of anthraquinone dihydroxy derivatives
Keywords: 31.15.Ew; 31.70.Dk; 32.30.Jc; 02.50.Sk; UV/vis spectra; TDDFT; PCM; Anthraquinone derivatives; Factor analysis;
Thermal conductivity improvement of stearic acid using expanded graphite and carbon fiber for energy storage applications
Keywords: Stearic acid; Expanded graphite; Carbon fiber; PCM; Thermal conductivity
Experimental study on melting/solidification characteristics of a paraffin as PCM
Keywords: PCM; Paraffin; Thermal energy storage; Melting; Solidification; Charging; Discharging
Application of latent heat thermal energy storage in buildings: State-of-the-art and outlook
Keywords: PCM; Latent heat; Thermal energy storage; Building envelope; Heat transfer
Ab initio computation of spectroscopic parameters as a tool for the structural elucidation of organic systems
Keywords: Spectroscopic parameters; UV; NMR; EPR; DFT; TD-DFT; PCM; Molecular dynamics;
Numerical and experimental study of melting in a spherical shell
Keywords: Melting; PCM; Simulation; Dimensional analysis; Correlation
Møller-Plesset perturbation theory calculations of the pKa values for a range of carboxylic acids
Keywords: Perturbation theory; MP3; Carboxylic acids; pKa; PCM; Acidity;
Density functional studies on the reagents Me3PX2 (where X=F, Cl, Br and I) in the gas phase and in solution
Keywords: Density functional theory; B3LYP; Trimethylphosphine; Difluorine; Dibromine; Dichlorine; Diiodine; Charge transfer complex; Solvation studies; PCM;
Electronic distribution and solvatochromism investigation of a model radical (2,2,6,6-tetramethylpiperidine N-oxyl: tempo) through TD-DFT calculations including PCM solvation
Keywords: TDDFT; Solvatochromic investigation; Radical structure; PCM;
Density functional studies on the reagents Me3AsX2 (where XÂ =Â F, Cl, Br and I) in the gas phase and in solution
Keywords: Density functional theory; B3LYP; Trimethylarsine; Difluorine; Dibromine; Dichlorine; Diiodine; Charge transfer complex; Solvation studies; PCM;
A novel PTFE-based proton-conductive membrane
Keywords: PCM; MEA; PTFE; Fuel cell; Membrane
Novel composite proton-exchange membrane based on silica-anchored sulfonic acid (SASA)
Keywords: PCM; SASA; Fuel cell; Membrane; Methanol oxidation;
Cervical Disc Replacement: The State of the Data
Keywords: cervical arthroplasty; BRYAN; PRESTIGE; PCM; PRODISC
Product PerformanceEffect of phase-change material on energy consumption of intelligent thermal-protective clothing
Keywords: PCM; Energy consumption; Thermal-protective clothing;
Solvent effect on indocyanine dyes: A computational approach
Keywords: Cyanine; TD-DFT; PCM; PPP;
Calculations of pKa values of carboxylic acids in aqueous solution using density functional theory
Keywords: Density functional theory; Carboxylic acids; pKa; PCM
Time-dependent density functional theory determination of the absorption spectra of naphthoquinones
Keywords: TD-DFT; PCM; Naphthoquinones; Dyes; Absorption spectra;
Ab initio study of solvent effects on the acetohydroxamic acid deprotonation processes
Keywords: Acetohydroxamic acid; Ab initio; PCM; Anions;
A DFT study on the structures and absorption spectra of the M-1-nitroso-2-naphthol complexes (MÂ =Â Ni, Cu, Cr, Cd, Pb)
Keywords: M-1-nitroso-2-naphthol complexes; 1-nitroso-2-naphthol; Ni(II); Cu(II); Cr(II); Cd(II); Pb(II); DFT B3LYP/Lanl2dz; TD-DFT; NBO; PCM;
Thermal testing and numerical simulation of a prototype cell using light wallboards coupling vacuum isolation panels and phase change material
Keywords: Latent heat storage; Phase change materials; PCM; Computer simulation; TRNSYS; Test-cell; Vacuum insulation panel; VIP
Increased apoptosis during the early phase of experimental paracoccidioidomycosis as a phenotypic marker of resistance
Keywords: Apoptosis; P. brasiliensis; Fas; FasL; PCM; paracoccidiodomycosis; LPS; lipopolysaccharide from Salmonella typhosa; L-NMMA; Ng-methyl-l-arginine;
Supercooling salt hydrates: Stored enthalpy as a function of temperature
Keywords: Supercooling; Thermal energy storage; Latent heat; Enthalpy; Crystallization; PCM; Salt hydrates
Experimental investigation and computer simulation of thermal behaviour of wallboards containing a phase change material
Keywords: Latent heat storage; Phase change material; PCM; Vacuum insulated panel; VIP; Wallboard; Light envelope
Experimental study of a compact PCM solar collector
Keywords: PCM; Solar collector; Energy storage
Numerical and experimental analyses of PCM containing sandwich panels for prefabricated walls
Keywords: Heat transfer; Phase Change Materials; Sustainability; Renewable energy; Dry assembled envelopes; Sandwich panels; PCM
Crystal structure of the serine protease domain of Sesbania mosaic virus polyprotein and mutational analysis of residues forming the S1-binding pocket
Keywords: SeMV, Sesbania mosaic virus; ss-RNA, single-stranded RNA; ORF, open reading frame; VPg, viral protein genome linked; RdRP, RNA-dependent RNA polymerase; MIRAS, multiple isomorphous replacement and anomalous scattering; IPTG, isopropyl thiogalactoside; PCM
Eutectic mixtures of some fatty acids for latent heat storage: Thermal properties and thermal reliability with respect to thermal cycling
Keywords: Eutectic mixture of fatty acids; PCM; Thermal property; Thermal reliability; Thermal cycling; DSC
Eutectic mixtures of some fatty acids for low temperature solar heating applications: Thermal properties and thermal reliability
Keywords: Fatty acids; Eutectic mixtures; PCM; Thermal properties; Thermal reliability; Thermal cycling
Simulation of passive thermal management system for lithium-ion battery packs
Keywords: Li-ion battery; Laptop battery packs; Thermal management; PCM; Thermal performance;
A validated solid-liquid extraction method for the HPLC determination of polyphenols in apple tissues
Keywords: ACY; anthocyanins; AVI; avicularin; CAT; (+)-catechin; CAT-2; unknown flavan-3-ol; CG-1; unknown anthocyanin; CQA; 5-caffeoylquinic acid; DHC; dihydrochalcones; EC; (â)-epicatechin; FA; flavan-3-ols; FO; flavonols; HCA; hydroxycinnamic acids; HYP; hyper
Membrane and extracellular antigens of Paracoccidioides brasiliensis (Mexo): Identification of a 28-kDa protein suitable for immunodiagnosis of paracoccidioidomycosis
Keywords: Mexo; PCM; Paracoccidioides brasiliensis; Immunodiagnostic; Antigens;
Virulence of Paracoccidioides brasiliensis and gp43 expression in isolates bearing known PbGP43 genotype
Keywords: gp43; Virulence; Paracoccidioides brasiliensis; CFU; colony-forming units; i.p.; intraperitoneal; i.t.; intratracheal; i.v.; intravenous; M; mycelium; nt; nucleotide; PCM; paracoccidioidomycosis; Y; yeast;
Study on the efficiency of effective thermal conductivities on melting characteristics of latent heat storage capsules
Keywords: Heat storage; Melting; Phase change; Heat transfer; Thermal conductivity; Circular cylinder; PCM;
Evaluation of a new copper(II)-curcumin complex as superoxide dismutase mimic and its free radical reactions
Keywords: SOD; superoxide dismutase; DMSO; dimethyl sulfoxide; SCE; standard calomel electrode; NHE; normal hydrogen electrode; EPR; electron paramagnetic resonance; TG-DTA; thermogravimetry and differential thermal analysis; NBT; nitroblue tetrazolium; DPPH; 2,2â
The antigenic and catalytically active formamidase of Paracoccidioides brasiliensis: protein characterization, cDNA and gene cloning, heterologous expression and functional analysis of the recombinant protein
Keywords: Paracoccidioides brasiliensis; Serum reactive protein; formamidase; Immunological reactivity; Catalytic activity; BCIP; 5-bromo-4-chloro-3-indolyl phosphate; CTAB; cationic hexadecyl trimethyl ammonium bromide; DTT; dithiotreitol; EDTA; ethylenediaminetet
Structural and energetic heterogeneities of pyrocarbon/silica gel systems and their adsorption properties
Keywords: AFM; atom force microscopy; B3LYP; electron-exchange correlation functional; CONTIN; program for solution of integral equation with regularization; CS; pyrocarbon/silica gel; carbosil; CS-A; samples prepared in the autoclave; CS-R; samples prepared in the
Repression by oxidative stress of iNOS and cytokine gene induction in macrophages results from AP-1 and NF-κB inhibition mediated by B cell translocation gene-1 activation
Keywords: BSO; buthionine sulfoximine; Btg-1; B-cell translocation gene-1; GFP; green fluorescent protein; GSH; glutathione; iNOS; inducible nitric oxide synthase; IL-1β; interleukin-1β; IL-6; interleukin-6; MEM; minimum essential medium; PBS; phosphate-buffered
Temperature regulator unit for fluid flow in a channel using phase change material
Keywords: PCM; Latent heat; Temperature regulator; Channel flow;
Theoretical investigation of hydrogen bonding in Watson-Crick, Hoogestein and their reversed and other models: comparison and analysis for configurations of adenine-thymine base pairs in 9 models
Keywords: Watson-Crick base pairs; Hoogestein; PCM; NBO; Ab initio; B3LYP; Solvent effect;