Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters

[1]  M. Hillmyer The promise of plastics from plants , 2017, Science.

[2]  Arjan W. Kleij,et al.  Semiaromatic Polyesters Derived from Renewable Terpene Oxides with High Glass Transitions , 2017 .

[3]  Xiao Wang,et al.  Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability. , 2017, Journal of chemical theory and computation.

[4]  M. Head‐Gordon,et al.  Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better? , 2017, Journal of chemical theory and computation.

[5]  Jan Hermann,et al.  First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications. , 2017, Chemical reviews.

[6]  Charles Romain,et al.  Sustainable polymers from renewable resources , 2016, Nature.

[7]  G. Coates,et al.  Ring-Opening Copolymerization of Epoxides and Cyclic Anhydrides with Discrete Metal Complexes: Structure-Property Relationships. , 2016, Chemical reviews.

[8]  Wei-Min Ren,et al.  Asymmetric Alternating Copolymerization of Meso-epoxides and Cyclic Anhydrides: Efficient Access to Enantiopure Polyesters. , 2016, Journal of the American Chemical Society.

[9]  Arjan W. Kleij,et al.  Alternating Copolymerization of Propylene Oxide and Cyclohexene Oxide with Tricyclic Anhydrides: Access to Partially Renewable Aliphatic Polyesters with High Glass Transition Temperatures , 2016 .

[10]  Ronald P White,et al.  Polymer Free Volume and Its Connection to the Glass Transition , 2016 .

[11]  C. Bannwarth,et al.  Dispersion-Corrected Mean-Field Electronic Structure Methods. , 2016, Chemical reviews.

[12]  G. Coates,et al.  Electronic Effects of Aluminum Complexes in the Copolymerization of Propylene Oxide with Tricyclic Anhydrides: Access to Well-Defined, Functionalizable Aliphatic Polyesters. , 2016, Journal of the American Chemical Society.

[13]  B. Weckhuysen,et al.  A Facile Solid‐Phase Route to Renewable Aromatic Chemicals from Biobased Furanics , 2015, Angewandte Chemie.

[14]  Jérôme F Gonthier,et al.  Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction. , 2015, The Journal of chemical physics.

[15]  B. Weckhuysen,et al.  Substituted Phthalic Anhydrides from Biobased Furanics: A New Approach to Renewable Aromatics. , 2015, ChemSusChem.

[16]  Robert M Parrish,et al.  Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding. , 2015, The Journal of chemical physics.

[17]  Brett M. Savoie,et al.  Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes , 2015, ACS central science.

[18]  Ronald P White,et al.  Free Volume in the Melt and How It Correlates with Experimental Glass Transition Temperatures: Results for a Large Set of Polymers. , 2015, ACS macro letters.

[19]  Charlotte K. Williams,et al.  Ring-opening copolymerization (ROCOP): synthesis and properties of polyesters and polycarbonates. , 2015, Chemical communications.

[20]  G. Coates,et al.  Alternating copolymerization of propylene oxide with biorenewable terpene-based cyclic anhydrides: a sustainable route to aliphatic polyesters with high glass transition temperatures. , 2015, Angewandte Chemie.

[21]  Robert M Parrish,et al.  Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition. , 2014, Journal of chemical theory and computation.

[22]  Charlotte K. Williams,et al.  Di-magnesium and zinc catalysts for the copolymerization of phthalic anhydride and cyclohexene oxide , 2014 .

[23]  Michael W. Schmidt,et al.  Advances in molecular quantum chemistry contained in the Q-Chem 4 program package , 2014, Molecular Physics.

[24]  M. Hillmyer,et al.  Aliphatic polyester block polymers: renewable, degradable, and sustainable. , 2014, Accounts of chemical research.

[25]  Ed de Jong,et al.  Hydroxymethylfurfural, a versatile platform chemical made from renewable resources. , 2013, Chemical reviews.

[26]  D. Darensbourg,et al.  Kinetic Studies of the Alternating Copolymerization of Cyclic Acid Anhydrides and Epoxides, and the Terpolymerization of Cyclic Acid Anhydrides, Epoxides, and CO2 Catalyzed by (salen)CrIIICl , 2012 .

[27]  R. Duchateau,et al.  Alternating Ring-Opening Polymerization of Cyclohexene Oxide and Anhydrides: Effect of Catalyst, Cocatalyst, and Anhydride Structure , 2012 .

[28]  Jean-Paul Lange,et al.  Furfural--a promising platform for lignocellulosic biofuels. , 2012, ChemSusChem.

[29]  R. Boutelle,et al.  Substituent effects on the reversibility of furan-maleimide cycloadditions. , 2011, The Journal of organic chemistry.

[30]  S. Grimme,et al.  A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. , 2010, The Journal of chemical physics.

[31]  Richard Bonneau,et al.  A preliminary survey of the peptoid folding landscape. , 2009, Journal of the American Chemical Society.

[32]  J. M. Granadino-Roldán,et al.  A quantum mechanical study on polymer flexibility: Extended model from monomer to tetramer of 2- and 4-bromostyrenes , 2009 .

[33]  A. Corma,et al.  Chemical routes for the transformation of biomass into chemicals. , 2007, Chemical reviews.

[34]  M. A. Alam,et al.  Free volume in poly(n-alkyl methacrylate)s from positron lifetime and PVT experiments and its relation to the structural relaxation , 2006 .

[35]  V. Shantarovich,et al.  Addition-type polynorbornenes with Si(CH3)3 side groups : Synthesis, gas permeability, and free volume , 2006 .

[36]  Benny D. Freeman,et al.  Materials science of membranes for gas and vapor separation , 2006 .

[37]  P. Budd,et al.  Free volume and intrinsic microporosity in polymers , 2005 .

[38]  M. A. Alam,et al.  Free volume, glass transition, and degree of branching in metallocene‐based propylene/α‐olefin copolymers: Positron lifetime, density, and differential scanning calorimetric studies , 2002 .

[39]  C. A. Solunov Cooperative molecular dynamics and strong/fragile behavior of polymers , 1999 .

[40]  R. Borkman,et al.  Internal rotation barriers: ab initio calculations on substituted ethyl benzoates and benzoic acids as models for polyester flexibility , 1998 .

[41]  R. Jaeger,et al.  Ab initio studies on the structure, conformation, and chain flexibility of halogenated poly(thionylphosphazenes) , 1995 .

[42]  M. Frisch,et al.  Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields , 1994 .

[43]  Benny G. Johnson,et al.  A density functional study of the simplest hydrogen abstraction reaction. Effect of self-interaction correction , 1994 .

[44]  Y. Yampolskii Polymeric Gas Separation Membranes , 1993 .

[45]  A. Becke Density-functional thermochemistry. III. The role of exact exchange , 1993 .

[46]  K. K. Chee Dependence of glass transition temperature on chain flexibility and intermolecular interactions in polymers , 1991 .

[47]  Parr,et al.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.

[48]  A. Zunger,et al.  Self-interaction correction to density-functional approximations for many-electron systems , 1981 .

[49]  V. Privalko,et al.  Glass transition and chain flexibility of linear polymers , 1974 .

[50]  S. J. Tao Positronium Annihilation in Molecular Substances , 1972 .

[51]  G. N. Ramachandran,et al.  Stereochemistry of polypeptide chain configurations. , 1963, Journal of molecular biology.

[52]  Stephen J. Garland,et al.  Algorithm 97: Shortest path , 1962, Commun. ACM.

[53]  W. Barb Effect of chemical structure on the softening point of substituted polystyrenes and related materials , 1959 .

[54]  A. Sippel Physical properties of polymers , 1958 .

[55]  F. Bueche Segmental Mobility of Polymers Near Their Glass Temperature , 1953 .

[56]  R. Lobo,et al.  Renewable production of phthalic anhydride from biomass-derived furan and maleic anhydride , 2014 .

[57]  Wade Fagen-Ulmschneider,et al.  Shortest Path , 2008, Encyclopedia of Algorithms.

[58]  I. Beckman,et al.  POLYMERIC GAS SEPARATION MEMBRANES , 2005 .

[59]  I. Ward,et al.  An infra-red study of conformational changes occurring during the drawing of PEMT, PET and PEMT/PET copolymer , 1992 .

[60]  Ronald L. Rivest,et al.  Introduction to Algorithms , 1990 .

[61]  O. Mogensen,et al.  Program system for analysing positron lifetime spectra and angular correlation curves , 1984 .

[62]  G. Odian,et al.  Principles of polymerization , 1981 .

[63]  J. Dunitz,et al.  Stereochemistry of reaction paths at carbonyl centres , 1974 .

[64]  Stephen Warshall,et al.  A Theorem on Boolean Matrices , 1962, JACM.

[65]  H. Leaderman,et al.  Physical properties of polymers , 1962 .

[66]  R. Lobo,et al.  List of reagents for analytical purposes with notes indicating the standards of purity regarded as necessary for analytical work , 1915 .