Proton Transfer Reactions of R-OH•(H2O)n (R = H5C2 and C6H5, n = 2, 3, 4, 6 and 12). A Computational StudyPrediction of R-H Homolytic Bond Dissociation Energies from Gas-Phase IR Data on νCH ValuesPeriodic Table of Carbon Nanotubes Based on the Chiral VectorPhase Transitions in 2D Ising Model with Competing InteractionsPrediction of Intestinal Epithelial Transport of Drug in (Caco-2) Cell Culture from Molecular Structure using in silico Approaches During Early Drug Discovery

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Proton Transfer Reactions of R-OH•(H2O)n (R = H5C2 and C6H5, n = 2, 3, 4, 6 and 12). A Computational Study
Hydroxyl groups in aliphatic and aromatic compounds are readily subject to proton exchanges. Ali
Prediction of R-H Homolytic Bond Dissociation Energies from Gas-Phase IR Data on νCH Values
The main goal of this work is the application of ν_CH IR frequencies of gaseous R-H
Periodic Table of Carbon Nanotubes Based on the Chiral Vector
The periodic table (PT) of the elements suggests that hydrogen could be the origin of everything
Phase Transitions in 2D Ising Model with Competing Interactions
2D Ising model with competing interactions describes the thermodynamic properties of confined co
Prediction of Intestinal Epithelial Transport of Drug in (Caco-2) Cell Culture from Molecular Structure using in silico Approaches During Early Drug Discovery
The high interest in the prediction of the intestinal absorption for new chemical entities is ge
Periodic Properties of Carbon Nanotubes Based on the Chiral Vector
An earlier publication reported a periodic table (PT) for single-wall carbon nanotubes (SWNT). I
Pharmacophore Mapping of Tricyclic Isoxazoles for Their Affinity Towards Alpha-2 Adrenoreceptors
Blockage of alpha-2 adrenoreceptors in brain enhances noradrenergic neurotransmission and increa
Prediction of Gas Chromatographic Retention Indices of Methylalkanes Produced by Insects
The methylalkanes studied in this work are produced by insects and are usually considered to be
pH-Dependent Complexation of Methacryloyloxydecyl Dihydrogen Phosphate (MDP) with Dipalmitoylphosphatidylcholine (DPPC) Liposomes: DSC and NMR Measurements
Chelatable methacrylates with phosphate groups, such as MDP, have been used as tooth-bonding age
Pilot Study: A Non-Invasive Urine Test for Potential Prostate AbnormalitiesCurrently, serum is used more often than urine to detect prostate specific antigen (PSA). The need f
Proton NMR Chemical Shift Behavior of Hydrogen-Bonded Amide Proton of Glycine-Containing Peptides and Polypeptides as Studied by ab initio MO CalculationNMR chemical shifts of the amide proton of a supermolecule, an Nmethylacetamide hydrogen-bonded with
Post Hartree–Fock and DFT Studies on Pyrrole···Nitrogen and Pyrrole···Carbon Monoxide MoleculesThe hydrogen bonded and van der Waals isomers of pyrrole···nitrogen and pyrrole···carbon monoxide ha
Potential Functions of Al2 by the Relativistic Fock-Space Coupled Cluster MethodPotential functions of the ground and low excited states of Al₂ are calculated by the rel
Polycondensation of Tetrahydrofuran with Phthalic Anhydride Induced By a Proton Exchanged Montmorillonite Clay“Maghnite” a montmorillonite sheet silicate clay, exchanged with protons to produce “H-Maghnite” is
Preparation of Cyclic Urethanes from Amino Alcohols and Carbon Dioxide Using Ionic Liquid Catalysts with Alkali Metal PromotersSeveral ionic liquids were applied as catalysts for the synthesis of cyclicurethanes from amino alco
Prediction of Environmental Properties for Chlorophenols with Posetic Quantitative Super-Structure/Property Relationships (QSSPR)Due to their widespread use in bactericides, insecticides, herbicides, andfungicides, chlorophenols
Predicting Aqueous Solubility of Chlorinated Hydrocarbons by the MCI ApproachCorrelation for estimation of the aqueous solubility (logSw) of chlorinatedhydrocarbons molecules is
Periodic Classification of Local Anaesthetics (Procaine Analogues)Algorithms for classification are proposed based on criteria (information entropyand its production)
Polyphenolic Profile and Antioxidant Activities of Oolong Tea Infusion under Various Steeping ConditionsThe phenolic profile and antioxidant activities of oolong tea extract wereinvestigated after tea was
Photoresist Derived Carbon for Growth and Differentiation of Neuronal CellsApoptosis or necrosis of neurons in the central nervous system (CNS) is thehallmark of many neurodeg

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