Physics, Molecular.
Overview
| Works: | 196 works in 0 publications in 0 languages | |
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Titles
Statistical mechanical approaches to informatics: Discovering motifs and clustering data.
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Theoretical characterization of charge transport in organic molecular crystals.
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Ultrafast infrared studies of chemical reaction dynamics in room-temperature liquids.
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Progress toward searching for electron electric dipole moment using lead oxide.
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Nanoparticle removal using laser induced plasma (LIP) technique and study of detachment modes based on molecular dynamics simulations.
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Equally-sloped tomography and its applications in biological imaging and x-ray phase-contrast imaging.
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Spectroscopic characterization of charge localization and delocalization in ionic clusters.
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Quantum and classical studies of calcium and zinc clusters and of pyrrole oligomers.
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Usefulness of nuclear magnetic resonance in the study of a variety of battery systems and materials.
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Molecular dynamics and quantum chemistry studies of the interactions in polymer matrix nanocomposites.
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Molecular simulation of carbon dioxide adsorption for carbon capture and storage.
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Optical and collisional energy transfer processes in fluorescent dyes, quaternary alkylammonium, and peptide cations.
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Simulating biochemical physics with computers: 1. Enzyme catalysis by phosphotriesterase and phosphodiesterase; 2. Integration-free path-integral method for quantum-statistical calculations.
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Photon induced effects in molecular assemblies of single walled carbon nanotubes.
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An active core fiber optic gas sensor using a photonic crystal hollow core fiber as a transducer.
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Comprehensive mass spectrometric analysis of novel organic semiconductor molecules.
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Studies of stretching and immobilization of DNA molecules and their interactions with proteins at the single-molecule level.
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Environmental and binding dependence of protein terahertz dielectric response.
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Green's function and Dyson orbital studies of the electronic structure of cage compounds and flexible molecules: A confrontation of many-body quantum mechanics with electron momentum, photo-electron and penning ionization electron spectroscopies.
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Electric field quenching of single-walled carbon nanotube photoluminescence.
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Growth and characterization of gallium arsenide quantum dots on strontium titanate thin films.
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Electron spin-dependent properties of semiconductor nanocrystals and endohedral fullerenes.
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X-ray diffraction-based electronic structure calculations and experimental x-ray analysis for medical and materials applications.
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Wave packet propagation in quantum dynamic systems via "Mathematica".
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Through-bond and through-space interactions in a novel class of nonconjugated polyenes.
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Molecular mechanics and ab initio simulations of silicon (111) surface reconstructions, semiconductors and semiconductor superlattices, hydrogen abstraction for nanotechnology, polysilane, and growth of CVD diamond.
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Computer analysis of buckminsterfullerene on a silicon (111)-7 x 7 surface.
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High-resolution jet spectroscopy and dynamics of semiconductor growth intermediates.
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Studies on the defect structure of indium-tin oxide using x-ray and neutron diffraction.
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Effect of magnetism on transport properties of atomic and molecular wires.
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Development of new quantum, semiclassical, and mixed quantum-classical methods for chemical dynamics simulations.
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Computational and experimental studies of coherence and energy flow in microscopic and mesoscopic systems.
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Topics in semiclassical quantum dynamics: Phase-space deformations, energy redistribution, and vibrational predissociation.
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Energy dissipation and power gain in quantum-dot cellular automata.
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A time-resolved fluorescence study of silicon nanoparticles: Testing the dimer stretching model.
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Theoretical studies of highly excited triplet states of sodium-potassium.
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Water adsorption on palladium(111): From monomers to a monolayer studied by scanning tunneling microscopy.
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Exploring novel methods of interferometric detection of ultrasmall phaseshifts.
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Improvements to the pseudospectral electronic structure method and experimental protein model initiation.
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An approximate approach to quantum mechanical study of biomacromolecules.
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Exploring single-molecule interactions through 3D optical trapping and tracking: From thermal noise to protein refolding.
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Molecular dynamics studies of peptide, nanoparticle, and lipid interactions using multiscale simulations.
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Quantum mechanical investigation on the vibrational relaxation of hydrogen fluoride in collisions with hydrogen atoms.
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Charge transport in nitro substituted oligo(phenylene-ethynylene) molecules.
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Theoretical investigations for molecular electronic devices: Metal/semiconductor interfaces, capacitance of atomic scale wires, and organics on diamond surfaces.
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Spectroscopic and electronic study of carbon nanotubes and carbon nanotubes composites.
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Vibrationally resolved anion photoelectron spectroscopy of metal clusters.
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First principles study of size and strain effects on the electronic properties of silicon and silicon carbide nanostructures.
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The impact of non-equilibrium microstructure on the mechanical response of polymer nanocomposites.
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Studying interactions of gas molecules with nanomaterials loaded in a microwave resonant cavity.
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Physicochemical characterization of camptothecin membrane binding properties and polymeric microsphere formulations.
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Infrared studies on the spectra and structures of novel carbon molecules.
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Development of bio-photonic sensor based on laser-induced fluorescence.
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Photoionization of isooctane and n-octane in intense laser fields: The effect of irradiance on ionization rates and electron dynamics.
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Protein dynamics in living cells: Fundamental developments of fluorescence correlation spectroscopy and investigations of protein nuclear import mechanisms.
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Ferrocene-based molecular electronics and nanomanufacturing of palladium nanowires.
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Charge transport and injection in amorphous organic electronic materials.
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Photoinitiated dynamics of cluster anions via photoelectron imaging and photofragment mass spectrometry.
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Mechanical properties of particle systems using a molecular dynamics approach inspired by continuum homogenization.
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Discerning protein similarities and folding dynamics through methods in statistical physics and molecular dynamics simulations.
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Submillimeter wave/THZ technology and rotational spectroscopy of several molecules of astrophysical interest.
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High-resolution infrared spectroscopy: Jet-cooled halogenated methyl radicals and reactive scattering dynamics in an atom + polyatom system.
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Studies of solvent effects on reaction dynamics using ultrafast transient absorption spectroscopy.
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Studies of the electroclinic response and structure of the liquid crystal W317.
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BCS to BEC evolution and quantum phase transitions in superfluid Fermi gases.
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Applications of nonlinear dynamics in atomic and molecular systems.
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Orbital-free density functional theory of atoms, molecules, and solids.
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The Kohn-Sham inversion procedure, real space techniques in density functional theory, and, Study of electronic structure of oligoacenes.
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Theory, synthesis and characterization of nano-scale architectures for solid-state hydrogen storage.
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Localized surface plasmon mediated photochemistry and charge transfer in noble metal nanoparticles.
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Molecular dynamics simulation of phase and structural transitions in model lung surfactant mixtures.
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Molecular dynamic simulation of thermo-mechanical properties of ultra-thin poly(methyl methacrylate) films.
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Five years of theoretical and computational chemistry: From H3+ to DNA.
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Dynamic phase and population control of state selected wave packets in lithium.
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Thin film organic structures: Nonlinear optical spectroscopy and electronic device applications.
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An atomic force microscopy investigation of insulin amyloid fibril formation.
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Molecular simulation study of fundamental effects of molecular association on properties of fluid interfaces.
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Solvation free energies from a coupled reference interaction site model/simulation approach.
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Energy-resolved positron-molecule annihilation: Vibrational Feshbach resonances and bound states.
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Application of density functional theory and continuum solvation to reactions and response properties of biological molecules.
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The jj-coupling scheme by tensor operators and a thorough interpretation of the spectra of some nickel(II) complexes.
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Electro-optical and dielectric properties of ferroelectric liquid crystals formed by banana-shaped molecules.
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Development and application of new density functional methods and doubly hybrid multi-coefficient methods.
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Distributions of tunnel splittings in quantum tunneling of magnetization in the single-molecule magnet, manganese12-acetate.
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Angular dependent interaction of metastable helium molecules on the surfaces of helium nanodroplets.
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Calculation of elastic properties of semiflexible polymers based on the quantum rotor isomorphism.
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Estimation of tangential momentum accommodation coefficient using molecular dynamics simulation.
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Theory and computer simulations of equilibrium polar solvation with applications to intramolecular electron transfer.
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Computer simulation studies of charge transfer through biological and artificial membrane channels.
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Multiscale modeling and computer simulation of polyhedral oligomeric silsesquioxane assemblies.
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A multireference density functional approach to the calculation of the excited states of uranium ions.
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Polarization spectroscopy and photodissociation studies of nitroaromatic compounds in the gas phase.
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Composite electric field guided assembly of nano/bio materials: Fluidics controlled regime for micro/nano assembly.
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Quantum and mixed quantum-classical dynamics studies of chemical reactions and biological system.
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Density functional theory studies of liquid-vapor nucleation and interfacial properties.
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Simulations of rotational dynamics and electronic spectroscopy in supercritical fluids.
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Thermodynamic properties of lattice polymers with structured monomers: A computational Monte Carlo study.
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Spectroscopy and dynamics of van der Waals complexes containing the aluminum atom and of several small molecules.
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Photochemical processes in laser ablation of organic solids: Molecular dynamics study.
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The effect of hydrogen on high-field-induced defects in the dielectric films of MOS structures.
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Collision-induced scattering in simple liquids investigated with simulated gain spectroscopy at ambient and high pressures.
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Compact support wavelet representations for solution of quantum and electromagnetic equations: Eigenvalues and dynamics.
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Effect of silver nanoparticles on the fluorescence of Pb2+ and compositional dependence of Sm3+ fluorescence in borate glasses.
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Nonadiabatic Molecular Dynamics and Orthogonality Constrained Density Functional Theory.
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Observation and measurement of the Higgs-like boson at 125 GeV in the two-photon decay channel with the CMS experiment.
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Exploring quantum phase transitions and quantum monodromy in the bending dynamics of floppy and rigid molecules using algebraic methods.
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