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Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds
This article discusses the theoretical estimation of vibrational frequencies involving transition metal compounds.
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF
This article discusses a periodic and molecular modeling study. Supramolecular stacked materials (dbbpy)Pt(tdt)•TENF and [Pt(dbbpy)(tdt)]₂•TENF are built from (dbbpy)Pt(tdt) donors (D) with TENF acceptors (A) (TENF = 2,4,5,7-tetranitro-9-fluorenone; dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate).
Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study
Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.
Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation
Article discussing research on the catalytic tuning of a phosphinoethane ligand for enhanced C-H activation.
Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation
This article reports calculations that probe the role of R (hydrocarbon) and R' (ligand substituent) effects on the reaction coordinate for C-H activation.
Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution
This article discusses a computational study of polarizabilities and second hyperpolarizabilities of inorganic transition metal thiometalates and metalates in solution.
Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects
Article discussing modeling nonlinear optical properties of transition metal complexes and the basis set, effective core potential, and geometry effects.
Molecular Modeling of Vanadium-Oxo Complexes. A Comparison of Quantum and Classical Methods
This article discusses molecular modeling of vanadium-oxo complexes and a comparison of quantum and classical methods.
Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K
This article describes methyl, ethyl and propyl parabens equilibrium solubility as determined in (methanol + water) binary mixtures at 298.15 K.
Singlet Quenching of Tetraphenylporphyrin and its Metal Derivatives by Iron(III) Coordination Compounds
This article reports on the singlet quenching of 5, 10, 15, 20-tetraphenylporphyrin (H₂TPP) and its magnesium(II) and zinc(II) derivatives (MgTPP and ZnTPP) by a series of iron(III) coordination compounds bearing different ligand systems.
TrichOME: A Comparative Omics Database for Plant Trichomes
Article on TrichOME, a comparative omics database for plant trichomes.
FAUST observations of ultraviolet sources in the directions of NGC 4038-39 and 6752
This article discusses an analysis of ultraviolet observations with the FAUST shuttle-borne telescope toward the Antennae and NGC 6752 celestial regions resulting in the detection of 46 and 221 candidate sources respectively, for a signal-to-noise ratio of 8.
Extremality and dynamically defined measures, part I: Diophantine properties of quasi-decaying measures
This article presents a new method of proving the Diophantine extremality of various dynamically defined measures, vastly expanding the class of measures known to be extremal.
A cytochrome P450 monooxygenase commonly used for negative selection in transgenic plants causes growth anomalies by disrupting brassinosteroid signaling
Article on a cytochrome P450 monooxygenase commonly used for negative selection in transgenic plants causing growth anomalies by disrupting brassinosteroid signaling.
Quantitative structure-property relationship studies for predicting gas to carbon tetrachloride solvation enthalpy based on partial least squares, artificial neural network and support vector machine
Article on quantitative structure-property relationship studies for predicting gas to carbon tetrachloride solvation enthalpy based on partial least squares, artificial neural network and support vector machine.
High Sensitivity Measurement of Implanted as in the Presence of Ge in Ge(x)Si(1-x)/Si Layered Alloys Using Trace Element Accelerator Mass Spectrometry
This article discusses high sensitivity measurement of implanted As in the presence of Ge in Ge(x)Si(1-x)/Si layered alloys using trace element accelerator mass spectrometry.
Binder Enhanced Refuse Derived Fuel
Patent relating to refuse derived fuels and more particularly to binder enhanced refuse derived fuel pellets and utilization of such pellets in solid-fuel fired furnaces.
The I' potential of the human auditory brainstem response to paired click stimuli
Article discussing the I' potential of the human auditory brainstem response to paired click stimuli.
Solubility of Anthracene in Binary Alcohol + Acetonitrile Solvent Mixtures at 298.2 K
Article on the solubility of anthracene in binary alcohol + acetonitrile solvent mixtures at 298.2 K.
Solubility of 2-Hydroxybenzoic Acid in Select Organic Solvents at 298.15 K
Article on the solubility of 2-hydroxybenzoic acid in select organic solvents at 298.15 K.
Field-grown transgenic switchgras (Panicum virgatum L.) with altered lignin does not affect soil chemistry, microbiology, and carbon storage potential
This article describes a study to evaluate effects of two independent lines of caffeic acid O-methyltransferase (COMT) downregulated switchgrass plants on soils in terms of chemistry, microbiolgy, and carbon cycling when grown in the field.
The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods
Article discussing research on the correlation consistent composite approach (ccCA) and an alternative to the Gaussian-n methods.
Combined Experimental and Computational Studies on the Nature of Aromatic C-H Activation by Octahedral Ruthenium(II) Complexes: Evidence for σ-Bond Metathesis from Hammett Studies
Article discussing combined experimental and computational studies on the nature of aromatic C-H activation by octahedral ruthenium(II) complexes of the type TpRu(L)(NCMe)R [Tp = hydridotris(pyrazolyl)borate; R = alkyl or aryl; L = CO or PMe3].
The correlation-consistent composite approach: Application to the G3/99 test set
Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.
Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach
Article discussing research on computational s-block thermochemistry with the correlation consistent composite approach, which has been shown to accurately compute gas-phase enthalapies of formation for alkali and alkaline earth metal oxides and hydroxides.
Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules
Article on the application of the correlation consistent composite approach (ccCA) to third-row (Ga-Kr) molecules.
Quantitative Computational Thermochemistry of Transition Metal Species
This article discusses quantitative computational thermochemistry of transition metal species. The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (±1 kcal mol⁻¹) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species.
Functional analysis of members of the isoflavone and isoflavanone O-methyltransferase enzyme families from the model legume Medicago truncatula
Article on a functional analysis of members of the isoflavone and isoflavanone O-methyltransferase enzyme families from the model legume Medicago truncatula.
Solubility of Pyrene in Ternary Alcohol + Cyclohexane + Heptane Solvent Mixtures at 299.15 K
Article on the solubility of pyrene in ternary alcohol + cyclohexane + heptane solvent mixtures at 299.15 K.
Solubility of Pyrene in Ternary Propanol + Butanol + 2,2,4-Trimethylpentane Solvent Mixtures at 299.15 K
Article on the solubility of pyrene in ternary propanol + butanol + 2,2,4-trimethylpentane solvent mixtures at 299.15 K.
Solubility of Pyrene in Ternary Propanol + Butanol + Cyclohexane Solvent Mixtures at 299.15 K
Solubility of pyrene in ternary propanol + butanol + cyclohexane solvent mixtures at 299.15 K.
Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
This article discusses the determination of the solubility of sulfamethazine (SMT) in {methanol (1) + water (2)} co-solvent mixtures at five different temperatures from 293.15 K to 313.15 K. The Jouyban-Acree model was used to correlate/predict the solubility values.
Further Numerical Analyses on the Solubility of Sulfapyridine in Ethanol + Water Mixtures
This article aims to correlate the solubility of sulfapyridine and sulfadiazine in ethanol + water mixtures by means of the Jouyban-Acree model, and to evaluate the preferential solvation of sulfapyridine in these mixtures by using the inverse Kirkwood-Buff integrals.
A Noninferiority Trial of a Problem-Solving Intervention for Hospice Caregivers: In Person versus Videophone
Article discussing in person versus videophone and a noninferiority trial of a problem-solving intervention for hospice caregivers.
Assessing Caregiver for Team Interventions (ACT): A New Paradigm for Comprehensive Hospice Quality Care
Article on a new paradigm for comprehensive hospice quality care and Assessing Caregivers for Team Interventions (ACT).
Technologies to Support End of Life Care
Article discussing the current level of utilization of informatics systems in hospice and palliative care and two projects that highlight the role of informatics applications for hospice informal caregivers.
Use of videophones to deliver a cognitive-behavioural therapy to hospice caregivers
Article on the use of videophones to deliver a cognitive-behavioural therapy to hospice caregivers.
Video-mediated Communication in Hospice Interdisciplinary Team Meetings: Examining Technical Quality and Content
Article on examining technical quality and content and video-mediated communication in hospice interdisciplinary team meetings.
A study of information flow in hospice interdisciplinary team meetings
Article on a study of information flow in hospice interdisciplinary team meetings.
Selection of an Analysis Wavelength: An Interesting Example Involving Solvatochromism and the Zwitterionic Dimroth-Reichardt's Betaine ET-30 Dye
Article on the selection of an analysis wavelength and an interesting example involving solvatochromism and the zwitterionic Dimroth-Reichardt's ET-30 betaine dye.
Solubility of Anthracene in Ternary 2-Butoxyethanol + Propanol + Butanol Solvent Mixtures
Article on the solubility of anthracene in ternary 2-butoxyethanol + propanol + butanol solvent mixtures.
Solubility of Anthracene in Ternary Propanol + 2,2,4-Trimethylpentane + Cyclohexane and Butanol + 2,2,4-Trimethylpentane + Cyclohexane Solvent Mixtures
Article on the solubility of anthracene in ternary propanol + 2,2,4-trimethylpentane + cyclohexane and butanol + 2,2,4-trimethylpentane + cyclohexane solvent mixtures.
Solubility of Anthracene in Ternary Propanol + Butanol + Cyclohexane Solvent Mixtures
Article on the solubility of anthracene in ternary propanol + butanol + cyclohexane solvent mixtures.
Solubility of Anthracene in Ternary 2-Alkoxyethanol + Cyclohexane + Heptane and 2-Alkoxyethanol + Cyclohexane + 2,2,4-Trimethylpentane Solvent Mixtures
Article on the solubility of anthracene in ternary 2-alkoxyethanol + cyclohexane + heptane and 2-alkoxyethanol + cyclohexane + 2,2,4-trimethylpentane solvent mixtures.
Solubility of Anthracene in Ternary Propanol + Butanol + 2,2,4-Trimethylpentane Solvent Mixtures
Article on the solubility of anthracene in ternary propanol + butanol + 2,2,4-trimethylpentane solvent mixtures.
Solubility of Anthracene in Multicomponent Solvent Mixtures Containing Propanol, Butanol, and Alkanes
Article on the solubility of anthracene in multicomponent Solvent Mixtures Containing Propanol, Butanol, and Alkanes.
Solubility of Anthracene in Ternary 2-Butoxyethanol + Alkane + Propanol Solvent Mixtures
Article on the solubility of anthracene in ternary 2-butoxyethanol + alkane + propanol solvent mixtures.
Biosynthesis of Isoflavonoid Phytoalexins: Incorporation of Sodium [1,2-(13)C2] Acetate into Phaseollin and Kievitone
Article on the biosynthesis of isoflavonoid phytoalexins and the incorporation of sodium [1,2-(13)C2] acetate into phaseollin and kievitone.
Investigation of Structural and Optical Properties of Ag Nanoclusters Formed in Si(100) After Multiple Implantations of Low Energies Ag Ions and Post-Thermal Annealing at a Temperature Below the Ag-Si Eutectic Point
This paper investigates the synthesis of Ag NCs in Si(100) substrate by implanting multiple energies and fluences of Ag ions and subsequent thermal annealing.
Patmos
This book is a collection of poetry in Italian and translated into French and English.