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Journal of Physical Chemistry C, ISSN 1932-7447, 08/2015, Volume 119, Issue 33, pp. 18945 - 18955
We theoretically describe in this work the n-type semiconducting behavior of a set of bis(arylene-ethynylene)-s-tetrazines ((ArCC)(2)Tz), by comparing their... 
CHARGE-TRANSPORT PROPERTIES | WORK FUNCTION | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | NONCOVALENT INTERACTIONS | FIELD-EFFECT TRANSISTORS | EXCITED-STATES | ELECTRON-TRANSFER | MATERIALS DESIGN | THIN-FILM TRANSISTORS | RECENT PROGRESS | DENSITY-FUNCTIONAL THEORY | Polymers | Chemical Sciences
Journal Article
Industrial and Engineering Chemistry Research, ISSN 0888-5885, 08/2015, Volume 54, Issue 33, pp. 8025 - 8030
Amidoxime is of broad interest as a functional group for extraction and separation of different metals from aqueous solution due to its high affinity for a... 
URANIUM | ENGINEERING, CHEMICAL | RECOVERY | FIBERS | EXTRACTION | COMPLEXES | SEAWATER | METAL-IONS | ADSORPTION | SILVER NANOPARTICLES | AQUEOUS-SOLUTION | Binding | Mathematical analysis | Binding energy | Resins | Polymers | Bayer liquor | Functional groups | Stretching
Journal Article
Macromolecules, ISSN 0024-9297, 06/2015, Volume 48, Issue 12, pp. 3817 - 3824
The fabrication of responsive biomimetic polymers that can respond to externally applied stimuli has received considerable attention over the past few years... 
AMIDE FUNCTIONAL INITIATORS | THERMAL RESPONSE | POLYMER SCIENCE | GENE DELIVERY | DRUG-DELIVERY | BIOMEDICAL APPLICATIONS | RELEASE | TRANSFER RADICAL POLYMERIZATION | STIMULI-RESPONSIVE POLYMERS | BLOCK-COPOLYMER | ATRP
Journal Article
Macromolecules, ISSN 0024-9297, 06/2015, Volume 48, Issue 12, pp. 4012 - 4023
As one of the most effective molecular design strategies in organic electronics, heteroatom substitution was employed for the first time to study the acceptor... 
POLYMER SCIENCE | CARRIER MOBILITY | PERFORMANCE | X-RAY-SCATTERING | SELENOPHENE | CONJUGATED POLYMER | HIGH-HOLE-MOBILITY | AMBIPOLAR SEMICONDUCTORS | COPOLYMER | ACCEPTOR
Journal Article
Journal Article
Macromolecules, ISSN 0024-9297, 01/2010, Volume 43, Issue 2, pp. 827 - 836
The polymerization of acrylamide (AA) and methacrylamide (MAA) was Studied by an extensive set of computational methods With it particular focus on the... 
RATE COEFFICIENTS | SOLVATION FREE-ENERGIES | POLYMER SCIENCE | POTASSIUM PERSULFATE | METHYL-METHACRYLATE | AB-INITIO | FLASH-INITIATED POLYMERIZATION | INDIVIDUAL KINETIC CONSTANTS | POLY(VINYL CHLORIDE) | DENSITY-FUNCTIONAL THEORY | PULSED-LASER POLYMERIZATION
Journal Article
ACS Nano, ISSN 1936-0851, 10/2015, Volume 9, Issue 12, pp. 12224 - 12232
The incorporation of nanostructures into nanoelectronic and nanoelectromechanical systems is a long sought-after goal. In the present article, we report the... 
density functional calculations | nanotubes | WS | electromechanical | inorganic | ELECTRONIC-PROPERTIES | GROWTH-MECHANISM | MATERIALS SCIENCE, MULTIDISCIPLINARY | WS2 | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | STRAIN | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 07/2015, Volume 119, Issue 26, pp. 6884 - 6896
The design and synthesis of efficient electron-transporting materials have been an active area of research in the area of organic solar cells (OSCs), organic... 
BENZOTHIADIAZOLE | ENERGY | CONJUGATED POLYMERS | DONOR | SEMICONDUCTORS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHARGE-TRANSPORT | CHEMISTRY, PHYSICAL | PHOTOVOLTAIC PROPERTIES | TIME | DENSITY-FUNCTIONAL THEORY | RATIONAL DESIGN | Solar cells | Optoelectronics | Research | Solar batteries | Organic LEDs
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 05/2015, Volume 119, Issue 21, pp. 5368 - 5376
The first-order hyperpolarizability, beta, has been calculated for a group Of marine natural products, the makaluvamines. These compounds possess a common... 
SYSTEM | FULIGINOSA | POLARIZABLE CONTINUUM MODEL | TOPOISOMERASE-II | CORRELATED MOLECULAR CALCULATIONS | NONLINEAR-OPTICAL PROPERTIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PROTEINS | EXCHANGE | GAUSSIAN-BASIS SETS | SOLVENT | Biological Products - chemistry | Oceans and Seas | Animals | Models, Chemical | Solvents - chemistry | Computer Simulation | Pyrroles - chemistry | Pyrroloiminoquinones - chemistry | Molecular Structure | Nonlinear Dynamics | Porifera - chemistry | Photochemical Processes | Solvent-solute interactions | Marine natural products | Pyrroles | nonlinear system | Chemical Sciences | Polarizable continuum model | sea | First-order hyperpolarizability | Density matrix formalism | Theoretical Chemistry | chemical model | Biological Products | Density functional theory | computer simulation | Continuum mechanics | Natural Sciences | Charge transfer | Nonlinear optics | chemistry | Radiation effects | Solvents | Time dependent density functional theory | Chromophores | Harmonic generation | Organic polymers | Nonlinear optical chromophore | pyrroloiminoquinone derivative | sponge (Porifera) | Naturvetenskap | Chemical | Pyrroloiminoquinones | Kemi | photochemistry | Porifera | animal | Wave functions | biological product | pyrrole derivative | solvent | chemical structure | Models | Teoretisk kemi | Dynamic hyperpolarizabilities
Journal Article
Macromolecules, ISSN 0024-9297, 04/2015, Volume 48, Issue 7, pp. 1991 - 1998
Reported herein is the excellent example of regio-/stereoselective coordination copolymerization of propylene with p-(3-butenyl)styrene (BSt) which produces... 
HALO-ALPHA-ALKENES | POLYMER SCIENCE | CHAIN TRANSFER-REACTIONS | ETHYLENE | TERMINAL FUNCTIONALIZATION | OLEFINS | PROPENE POLYMERIZATION | PROPYLENE | METALLOCENE | COPOLYMERIZATION | POLYETHYLENE
Journal Article
Macromolecules, ISSN 0024-9297, 08/2015, Volume 48, Issue 16, pp. 5459 - 5469
Reversible deactivation radical polymerization (RDRP) has revolutionized modern polymer chemistry over the past two decades, thus laying the groundwork for the... 
FULL MONOMER CONVERSION | POLYMER SCIENCE | VINYL-ACETATE | ONE-POT | OXYGEN TOLERANCE | MEDIATED POLYMERIZATION | FRAGMENTATION CHAIN-TRANSFER | FREE-RADICAL POLYMERIZATION | WATER-SOLUBLE (CO)POLYMERS | IONIC LIQUIDS | HYDROPHILIC BLOCK-COPOLYMERS
Journal Article
ACS Combinatorial Science, ISSN 2156-8952, 11/2011, Volume 13, Issue 6, pp. 579 - 633
Journal Article
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