1Science for Life Laboratory, Stockholm and Uppsala, 171 21 Stockholm, Sweden, 2Dept. Theoretical Physics, KTH Royal Institute of Technology, 10691 Stockholm, Sweden, 3 Theoretical and Computational Biophysics Dept., Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Göttingen, Germany 4Center for Biomembrane Research, Dept. Biochemistry & Biophysics, Stockholm University, SE...

C. Y. Cai ( ),1 Qing Ai ( ),1 H. T. Quan ( ),2 and C. P. Sun ( )1,* 1State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Science, Beijing 100190, People’s Republic of China 2Department of Chemistry and Biochemistry and Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA (Received 19 May 2011; publ...

An analogy between combinatorial chemistry and Monte Carlo computer simulation is pursued. Examples of how to design libraries for both materials discovery and protein molecular evolution are given. For materials discovery, the concept of library redesign, or the use previous experiments to guide the design of new experiments, is introduced. For molecular evolution, examples of how to use ``bia...

Petr Lazar,1,* Tomáš Bučko,2,3,† and Jürgen Hafner4 1Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University Olomouc, Tr. 17. Listopadu 12, 771 46 Olomouc, Czech Republic 2Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University in Bratislava, Ilkovičova 6, SK-84215 Bratislava, Slo...

Elisa Rebolini,1,2,4,* Julien Toulouse,1,2,† Andrew M. Teale,3,4,‡ Trygve Helgaker,4,§ and Andreas Savin1,2,∥ 1Sorbonne Universités, UPMC Université Paris 06, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris, France 2CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris, France 3School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom 4...

Commisariat à l'Energie Atomique (CEA), Institut de Biologie et Technologies de Saclay (iBiTecS) and CNRS URA 2096, Gif sur Yvette, F-91191, France Department of Physics and Astronomy, Faculty of Sciences, VU University Amsterdam, De Boelelaan 1081, 1081 HV Amsterdam, The Netherlands School of Biological and Chemical Sciences, Queen Mary University of London, Mile End, Bancroft Road, London, E1...

S. J. A. van Gisbergen,1 P. R. T. Schipper,1 O. V. Gritsenko,1 E. J. Baerends,1 J. G. Snijders,2 B. Champagne,3 and B. Kirtman4 1Section Theoretical Chemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands 2Theoretical Chemistry, Materials Science Centre, Rijksuniversiteit Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands 3Laboratoire de Chimie Théorique A...

Guang S. He,* Hai-Yan Qin, Qingdong Zheng, Paras N. Prasad, Steffen Jockusch, Nicholas J. Turro, Marlin Halim, Dalibor Sames, Hans Ågren, and Sailing He Institute for Lasers, Photonics and Biophotonics, Department of Chemistry, State University of New York at Buffalo, Buffalo, New York 14260-3000, USA Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA Dep...

Shridhar R Gadre is a professor of physical chemistry at the Department of Chemistry, University of Pune. He has been actively working in the area of theoretical and computational chemistry. He feels that the history of the development of a concept should .be inextricably woven into the teaching of a topic. Similarly, the subject could be made more lively by incorporating brief biographical ske...

Microwave activation of electrochemical processes: High temperature phenol and triclosan electro-oxidation at carbon and diamond electrodes Mohamed A. Ghanem a,1, Richard G. Compton b, Barry A. Coles b, Elefteria Psillakis c, M. Anbu Kulandainathan d, Frank Marken a,∗ a Department of Chemistry, University of Bath, Bath BA2 7AY, UK b Physical and Theoretical Chemistry Laboratory, Oxford Universi...