1 Department of Chemistry, University of California, Berkeley, CA 94720-1460, USA 2 Center of Excellence for Advanced Materials Research (CEAMR), King Abdulaziz University, Jeddah 21589, P.O. Box 80203, Saudi Arabia † Present address: Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore ‡ Present address: Depar...

The awareness of the effect of abiotic processes in wastewater treatment and sludge treatment technologies is increasing considerably. However traditionally used mathematical models either do not represent abiotic processes, or use simplified approaches. This paper presents a mathematical model able to represent abiotic processes in the steady-state model developed for the anaerobic reactor in ...

Computer Chemistry is of quickly increasing importance, in particular since the flood of data is rapidly growing with the introduction of Combinatorial Chemistry using methods of synthesis in large quantities (libraries) and high throughput screening. The accompanying software that allows to optimize such experiments in advance and to economize the cost of measurement afterwards uses in particu...

Chemometrics is broadly defined as the application of mathematical and statistical methods to chemistry. Because the mathematical and statistical aspects of chemistry require measured values, analytical chemists have been at the forefront of the "chemometric revolution." Using the analysis of variance as a paradigm, I present an overview of chemometrics as it is practiced today. Receiving speci...

Bao-Sheng Li, Yuhuang Wang, Zhichao Jin and Yonggui Robin Chi Division of Chemistry & Biological Chemistry, School of Physical & Mathematical Sciences, Nanyang Technological University,Singapore 637371, Singapore Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou Universit...

Unusual features of this new text are a long chapter on atomic and molecular structure, a clear summary of modern ideas about biological oxidation and reduction, and the extreme detail with which even the most elementary mathematical operations are explained. The behavior of buffers is also discussed very fully. Mathematical expressions of the laws of physical chemistry are cut down to a minimu...

Jun Zhang, Jiri Vala, Shankar Sastry, and K. Birgitta Whaley Department of Electrical Engineering and Computer Sciences, University of California, Berkeley, California 94720 Department of Chemistry and Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720 Mathematical Sciences Research Institute, 1000 Centennial Drive, Berkeley, California 94720 ~Received...

Unusual features of this new text are a long chapter on atomic and molecular structure, a clear summary of modern ideas about biological oxidation and reduction, and the extreme detail with which even the most elementary mathematical operations are explained. The behavior of buffers is also discussed very fully. Mathematical expressions of the laws of physical chemistry are cut down to a minimu...

My half-century journey started from synthetic organic chemistry. During the first stage of my journey, my interest in stereochemistry was initiated through the investigation on the participation of steric effects in reactive intermediates, cylophanes, strained heterocycles, and organic compounds for photography. In chemoinformatics as the next stage of the journey, I proposed the concept of im...