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Journal of Power Sources, ISSN 0378-7753, 08/2015, Volume 288, pp. 393 - 400
.... Oxidation stabilities of solvent or anion monomers without considering specific solvation molecules cannot represent experimental oxidation stabilities... 
Oxidation | Ab-initio | Solvation | Electrolyte | Reaction | Battery | ELECTROCHEMISTRY | ENERGY & FUELS | MATERIALS SCIENCE, MULTIDISCIPLINARY | DECOMPOSITION | CHEMISTRY, PHYSICAL | MECHANISMS | SULFONE | POTENTIALS | HIGH-POWER | MANGANESE-OXIDE | FLUORINATED ELECTROLYTES | CHEMISTRY | LITHIUM-ION BATTERIES | Oxidation-reduction reaction | Oxalates | Oxalic acid | Comparative analysis | Electrolytes
Journal Article
Chemical physics, ISSN 0301-0104, 2019, Volume 520, pp. 8 - 20
The adsorption of triblock copolymer’s moieties such as DME, 1,2-DME, and 1,2-DMP on a Rutile surface has been studied by DFT. The insights into their... 
TRIBOLOGICAL PERFORMANCE | DYNAMICS SIMULATION | BEHAVIOR | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DIMETHYL ETHER | CHEMISTRY, PHYSICAL | FORCE-FIELD | 1,2-DIMETHOXYETHANE | POLY(ETHYLENE OXIDE) | BLOCK-COPOLYMER | Chemical properties | Adsorption | Mechanical engineering | Analysis | Bonds | Biomedical engineering
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2018, Volume 20, Issue 13, pp. 8832 - 8841
Journal Article
Journal of Polymer Science Part A: Polymer Chemistry, ISSN 0887-624X, 06/2014, Volume 52, Issue 12, pp. 1761 - 1770
ABSTRACT Four different fluorinated methyl‐ and phenyl‐substituted 4‐(4‐hydroxyphenyl)‐2‐(pentafluorophenyl)‐phthalazin‐1(2H)‐ones, AB‐type phthalazinone monomers, have been successfully synthesized by nucleophilic addition... 
high performance polymers | hydrophobic material | step‐growth polymerization | fluoropolymers | AB type monomer | step-growth polymerization | C COUPLING REACTION | KETONE) IONOMERS | POLYMER SCIENCE | SELF-CONDENSATION | OPTICAL-PROPERTIES | POLY(PHTHALAZINONE ETHER)S | FLOW BATTERY APPLICATION | PROTON-EXCHANGE MEMBRANE | FUEL-CELL APPLICATIONS | AROMATIC PHTHALAZINONE | POLY(ARYLENE ETHER)S | Solubility | Polymerization | Mechanical properties | Contact angle | Nuclear magnetic resonance | Fluorination | Monomers | Contact
Journal Article
Polymer chemistry, ISSN 1759-9954, 2015, Volume 6, Issue 45, pp. 7781 - 7795
...)s with defined molecular weights and distributions via chain-growth Ni-catalysed polymerisations of suitable AB-type organometallic monomers... 
Journal Article
Polymer Chemistry, ISSN 1759-9954, 11/2015, Volume 6, Issue 45, pp. 7781 - 7795
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2012, Volume 136, Issue 14, pp. 144113 - 144113-9
We present extensions to the local-monomer (LMon) Model, a general quantum method to describe coupled intramolecular vibrational modes of a molecular cluster... 
ROVIBRATIONAL ENERGIES | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | MULTIMODE | VIBRATIONAL ENERGIES | Coupling (molecular) | Couplings | Molecular clusters | Clusters | Constants | Joining | Mathematical models | Monomers
Journal Article
Designed monomers and polymers, ISSN 1568-5551, 2016, Volume 20, Issue 1, pp. 221 - 233
...:3,6-dianhydrohexitol based AA/AB-type monomers. Unprecedented diacids based on Isomannide and Isoidide were elaborated with high yields and showed interestingly high melting point ranges (240-375 °C... 
poly(ether)esters | biosourced | Isosorbide | 1,4:3,6-Dianhydrohexitols | AB monomers | semicrystalline | Semicrystalline | Poly(ether)esters | Biosourced | 1,4: 3,6-Dianhydrohexitols | Ab monomers | POLYESTERS | POLYMERS | POLYMER SCIENCE | FURANS | TEREPHTHALIC ACID | COPOLYESTERS | CHIRAL BUILDING-BLOCKS | RENEWABLE RESOURCES | Benzoic acid | Nuclear magnetic resonance--NMR | Polymers | Chemical synthesis | Melting points | Sugar | Monomers | Optimization | Analytical chemistry | Chemical Sciences
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2014, Volume 10, Issue 8, pp. 2906 - 2910
The MB-pol full-dimensional water potential introduced in the first two papers of this series [J. Chem. Theory Comput. 2013, 9, 5395 and J. Chem. Theory... 
MOLECULAR-DYNAMICS | CLUSTERS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | AB-INITIO CALCULATIONS | CHEMISTRY, PHYSICAL | PREDICTIONS | PATH CENTROID DENSITY | ALGORITHMS | FORMULATION | SIMULATION | QUANTUM-STATISTICAL MECHANICS | ENERGY SURFACE
Journal Article