Design of Spin-Polarized Molecular Wire as a Prototypal Unimolecular Quantum Spin DeviceDivalent Cation Induced DNA-Zwitterionic Vesicle Formulation Compacted for Gene Delivery: Thermodynamic AspectsDecarbonylation of 7-Norbornenones. Structural Factors Influencing Activation Energies of the Transition States in Cheletropic Reactions. An ab initio studyDensity Models for Alkanes and Monoderivatives of HydrocarbonsDensity Functional Study on the Highest and Lowest Spin States of [Mn2O2(H2O)8]q+ (q = 0, 2, 4)

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Design of Spin-Polarized Molecular Wire as a Prototypal Unimolecular Quantum Spin Device
Development of a series of "spin-polarized donors", which afford ground state triplet cation dir
Divalent Cation Induced DNA-Zwitterionic Vesicle Formulation Compacted for Gene Delivery: Thermodynamic Aspects
Complexes between nucleic acids and phospholipid vesicles have been developed as stable non-vira
Decarbonylation of 7-Norbornenones. Structural Factors Influencing Activation Energies of the Transition States in Cheletropic Reactions. An ab initio study
Computational study of decarbonylation of 7-norbornenones was employed in order to rationalize e
Density Models for Alkanes and Monoderivatives of Hydrocarbons
The eigenvalue of bonding orbital-connecting matrix is a good descriptor for expressing the rela
Density Functional Study on the Highest and Lowest Spin States of [Mn2O2(H2O)8]q+ (q = 0, 2, 4)
Water oxidation mechanism of oxygen-evolving complex (OEC) in photosystem II (PSII) has not been
Diterpene Skeletal Type Classification and Recognition using Self-Organizing Maps
Kohonen Self-Organizing Feature Map (SOM Kohonen map) is a technique used for pattern classifica
Density Functional Studies of Molecular Polarizabilities. 10. Fulvenes and FulvalenesWe report accurate Ab Initio Hartree Fock (HF) and Density Functional Theory (DFT) studies
Density Functional Studies of Molecular Polarizabilities. 7. Anthracene and PhenanthreneWe report accurate Ab Initio studies of the static dipole polarizabilities of anthracene an
Differential Gene Expression of Fibroblasts: Keloid versus NormalThis study investigated gene regulation and unique gene products in both keloid (KDF) and normal (ND
Differential Cytotoxicity and Gene Expression in Human Liver Carcinoma (HepG2) Cells Exposed to Arsenic Trioxide, and Monosodium Acid Methanearsonate (MSMA)Research in our laboratory has demonstrated that a trivalent form of arsenic such as arsenic trioxid
Detection of Riddelliine-Derived DNA Adducts in Blood of Rats Fed RiddelliineWe have previously shown that riddelliine, a naturally occurring genotoxic pyrrolizidine alkaloid, i
Density Functional Theory and Materials Modeling at Atomistic Length ScalesWe discuss the basic concepts of density functional theory (DFT) as applied to materials modeling in
Dynamical Effects in the Optical Response of Carbon ChainsWe discuss the optical response of small carbon chains from the linear to the non linear domain in t
Distance-Related Molecular Descriptors
A brief review of various molecular descriptors based on graph-theoretical distances is presente
Density Functional Studies of the Dipole Polarizabilities of Substituted Stilbene, Azoarene and Related Push-Pull MoleculesWe report high quality B3LYP Ab Initio studies of the electric dipole polarizability of three relate
Docking and QSAR Studies for Inhibitors of Thymidylate Synthase
A series of novel antifolate inhibitors having naphthalene core, substituted quinazoline, indole
Design of Anti-HIV Ligands by Means of Minimal Topological Difference (MTD) MethodMolecular modeling and MTD methods are useful tools to assess both qualitative(SAR) and quantitative
Determination of Trace Level of cAMP in Locusta Migratoria Manilensis Meyen by HPLC with Fluorescence DerivationA sensitive and rapid method was developed for the determination of cAMP inLocusta migratoria manile
Dipole Correlation of the Electronic Structures of theConformations of Water Molecule Evolving Through theNormal Modes of Vibrations Between Angular (C2v) to Linear(D∝h) ShapesIn order to settle the issue of equivalence or non-equivalence of the two lone pairsof electrons on
Downregulation of the Expression of GLUT1 Plays a Role in Apoptosis Induced by Sodium Butyrate in HT-29 Cell LineThe regulation of glucose and sodium butyrate transporters(glucose transporter1-5 and Monocarboxylat

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