Embedded Quantum Espresso (eQE) is Served Up at Advanced Science News

FJ The development of a new computer program for quantum chemical calculations is featured in Advanced Science News. The program, eQE, uses a divide-and-conquer strategy developed by Michele Pavanello and his collaborators to calculate properties of large systems with high computational efficiency. The science behind the software along with sample calculations are provided in their recent International Journal of Quantum Chemistry article.

New High Performance Polymers for Organic Field-Effect Transistors

FJ In a collaborative project, the groups of Professors Pietrangelo and Heeney (Imperial College) have developed high performance thin-film transistors using polymers with cyclopentadiene units in the backbone. Read the details of polymer synthesis, characterization, and device construction in their recent Journal of the American Chemical Society communication.

RU-Newark Chemistry Makes the Cover of Organic and Biomolecular Chemistry

FJ In a recent communication, Nareddy, Jordan, and Szostak report a new synthetic method that employs aryl silanes and ruthenium catalysis to arylate C-H bonds of N-heterocycles. The journal cover features a snazzy image of the Newark Campus surrounding Olson Hall, where this highly regioselective and chemoselective reaction was developed.

Award Competition: Herbert C. Cheung Scholarships, Anna and Bernard Senkowski Scholarships

Each spring, the Chemistry Department runs an award competition open to all chemistry majors currently enrolled at Rutgers-Newark. To be eligible, a student must be a declared chemistry major by June 30 of this year. Award winners are selected based upon the evaluation of grade-point average, financial need, and two letters of recommendation. The deadline for submitting application forms is June 30.

Rutgers-Newark Alumus Inducted into NJ Inventors Hall of Fame

FJ Dr. Salvatore Salamone was recently honored for his "luminary discoveries and contributions in the fields of oncology research, therapeutic diganostics, health care, and medical device services." As a former Ph.D. student (1976-1981) in the Jordan group, Dr. Salamone is now the founder, president, and CEO of Saladax Biomedical, Inc.

Diabatic States for Charge Transfer Reactions

MP Pablo Ramos (recently featured by the Graduate School) and Michele Pavanello have published their formulation of a constrained density functional theory, and demonstrated its use to model hole transport in DNA. Learn the details and read about plans for additional applications of the theory in their Physical Chemistry Chemical Physics article.

New Nickel-catalyzed Route to Biaryl Compounds from Bench-stable Amides

MS The Szostak research group has developed a new method for the synthesis of biaryl compounds from a Suzuki-Miyaura coupling reaction using amides. Employing an air-stable nickel complex, the catalytic process has a very broad substrate scope. Read the synthetic details in their Angewante Chemie article, and learn about their supporting mechanistic studies.

N-H--π Interactions Stabilize Azaborine Oligomer and Polymer Conformations

MS In collaboration with the Liu group at Boston College, the Jäkle group reported the synthesis and characterization of regioregular 1,2-azaborine oligomers and polymers with long effective conjugation lengths. Read their Angewandte Chemie communication to learn about the N-H--π effects responsible for maintaining coplanar alignment of the azaborines in the main chain.

Isoxazole Chemistry Review Wins High Praise

MS A recent review article by the Szostak group, Recent Developments in the Synthesis and Reactivity of Isoxazoles: Metal Catalysis and Beyond, has been selected as a "VIP" (Very Important Publication) in Advanced Synthesis & Catalysis. Read the article to learn about the advances in the chemistry of this important ring system in the last decade.

Pietrangelo Group Research Makes the Cover of Polymer Chemistry

AP A recent article by the Pietrangelo research group, Effect of Residue Structure on the Thermal and Thermoresponsive Properties of Substituted Poly(N-acryloyl-2-pyrrolidone)s, has been published in Polymer Chemistry and featured on the cover! Read the article to learn about how both the structure and chemical class of the pyrrolidone residues influence the physicochemical properties of polymers that are highly desirable for drug delivery applications.

Novel Tools in Computational Chemistry Coding Workshop

MP Experts in chemistry and computer science will host a workshop at Rutgers University-Newark on April 11, 2015. The aim of the workshop is to bring researchers up-to-speed with the latest developments in both disciplines. More details and registration information is available here.

Pavanello Group Research Makes the Cover of JCP

MP The latest paper by the Pavanello research group on Periodic Subsystem Density-Functional Theory was selected as the Featured Article of Issue 7 of Volume 141 of The Journal of Chemical Physics. One figure from the article was placed on the cover of the issue! Read the full paper to learn how their research will improve computational studies of molecules interacting with metal and semiconductor surfaces.

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