26th Aug 2013
Stochastic structure determination for conformationally flexible heterogenous molecular clusters. Application to ionic liquids

Stochastic structure determination for conformationally flexible heterogenous molecular clusters. Application to ionic liquids

Matthew A. Addicoat, Syou Fukuoka, Alister J. Page, Stephan Irle Journal of Computational Chemistry DOI: 10.1002/jcc.23420 Publication Date: August 26, 2013 We present a novel method that enables accurate and...

13th Aug 2013
Photochemical Double 5-exo Cyclization of Alkenyl-Substituted Dithienylacetylenes: Efficient Synthesis of Diarylated Dithienofulvalenes

Photochemical Double 5-exo Cyclization of Alkenyl-Substituted Dithienylacetylenes: Efficient Synthesis of Diarylated Dithienofulvalenes

Dr. Aiko Fukazawa, Takashi Karasawa, Dr. Hongyu Zhang, Kazumitsu Minemura, Dr. Cristopher Camacho, Dr. Jian Wang, Prof. Dr. Stephan Irle, Prof. Dr. Shigehiro Yamaguchi Angewandte Chemie International Edition Article first...

12th Aug 2013
Slide1

Jamal Musaev, September 11, 2013

Theoretical Chemistry Colloquium September 11, 2013 (Wed), 16:00-17:00 RCMS, 2nd floor, Chemistry Gallery Knowledge-based Catalyst Design: Transition Metal Catalyzed Water Oxidation and Stereoselective C-H Bond Functionalization Dr. Jamal Musaev Cherry...

12th Aug 2013
Slide1

Jan M. Knaup, September 3, 2013

Theoretical Chemistry Colloquium September 3, 2013 (Tue), 16:00-17:00 RCMS, 2nd floor, Chemistry Gallery Advanced Modeling of Functional Nanoionics in Oxides   Dr. Jan M. Knaup Bremen Center of Computational Materials...

01st Aug 2013
Vacancy: WPI computer server administrator

Vacancy: WPI computer server administrator

We are planning to hire the WPI computer server administrator as soon as possible. Please see attached the corresponding job description here . The person should be able to communicate...