In this paper we report the geometries and properties of 40 structural isomers located on the MP2/6-311++G** PES of the carbonic acid dimer. All six possible combinations of carbonic acid monomers were considered. The dimers are divided into six geometrical motifs. Our data suggests that combinations of anti-anti monomers do not necessarily lead to larger stabilization energies in the formation...

To study the protein folding problem, we use exhaustive computer enumeration to explore “sequence space soup,” an imaginary solution containing the “native” conformations (i.e., of lowest free energy) under folding conditions, of every possible copolymer sequence. The model is of short self-avoiding chains of hydrophobic (H) and polar (P) monomers configured on the two-dimensional square lattic...

Pyroelectric liquid-crystal polymers were prepared by photopolymerization of binary mixtures of two monomers that exhibit a smectic C* phase: A2c, 49-$(R)-(2)-2-[(10-acryloyloxy)decyl]oxy%-3-nitrophenyl 4-{48[(11-acryloyloxy)undecyloxy]phenyl%benzoate and A1b, 49-((R)-(1)-2-octyloxy)-39-nitro phenyl 4-(48-@(11acryloyloxy)undecyloxy]phenyl) benzoate. Both liquid-crystal monomers have a NO2 subst...

Polymeric materials bearing polar groups constitute a class of macromolecules with interest in number uses. Because the direct synthesis employing polymerization strategies from monomers is very often precluded by catalyst poisoning or uncontrolled side reactions, alternative postpolymerization route consisting modifying previously prepared polymer continuously progressing. However, such poster...

Dinickel bisphenoxyiminato complexes based on highly substituted p- and m-terphenyl backbones were synthesized, and the corresponding atropisomers were isolated. In the presence of a phosphine scavenger, Ni(COD)2, the phosphine-ligated syn-dinickel complexes copolymerized α-olefins and ethylene in the presence of amines to afford 0.2-1.3% α-olefin incorporation and copolymerized amino olefins a...

INTRODUCTION With the development of living cationic polymerization of isobutylene (IB)1 and styrenic monomers,2–5 the synthesis of ABA triblock copolymer thermoplastic elastomers (TPEs) with polyisobutylene (PIB) as rubbery middle segments and styrenic polymers as plastic outer segments became possible. TPEs with PIB rubbery segments inherently exhibit superior oxidative, chemical and thermal ...

This work reports the chemoselective polymerization of polar divinyl monomers, including allyl methacrylate (AMA), vinyl methacrylate (VMA), and 4-vinylbenzyl methacrylate (VBMA), by using simple Lewis pairs comprised of homoleptic rare-earth (RE) aryloxide complexes RE(OAr)₃ (RE = Sc (1), Y (2), Sm (3), La (4), Ar = 2,6-tBu₂C₆H₃) and phosphines PR₃ (R = Ph, Cy, Et, Me). Catalytic activities of...

Understanding the driving forces for the collapse of a polymer chain from a random coil to a globule would be invaluable in enabling scientists to predict the folding of polypeptide sequences into defined tertiary structures. The HP model considers hydrophobic collapse to be the major driving force for protein folding. However, due to the inherent presence of chirality and hydrogen bonding in p...