11 Ergebnisse.

Chapters collected from "The Virtual Conference on Chemistry and its Applications (VCCA-2021) - Research and Innovations in Chemical Sciences: Paving the Way Forward". This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.

Computational Chemistry serves as a complement to experimental chemistry where the tools are limited. Using computational programs to solve advanced problems is widely used in the design and analysis of for example new molecules, surfaces, drugs and materials. This book will present novel innovations in the field, with real-life examples of where computational technologies serves as an indispensible tool.

These proceedings gather carefully selected, peer-reviewed contributions from the International Conference on Pure and Applied Chemistry (ICPAC 2018). The event, the latest installment in a biennial conference series, was held in July 2018 in Mauritius. The respective chapters in this unique collection reflect a wide range of fundamental and applied research in the chemical sciences and various interdisciplinary subjects. In addition to review...

This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.

Twenty-three carefully selected, peer-reviewed contributions from the International Conference on Pure and Applied Chemistry (ICPAC 2014) are featured in this edited book of proceedings. ICPAC 2014, a biennial meeting, was held in Mauritius in June 2014. The theme of the conference was “Crystallizing Ideas: The Role of Chemistry” and it matched the declaration of the year 2014 as the International Year of Crystallography. ICPAC 2014 was attend...

These proceedings gather carefully selected, peer-reviewed contributions from the International Conference on Pure and Applied Chemistry (ICPAC 2018). The event, the latest installment in a biennial conference series, was held in July 2018 in Mauritius.The respective chapters in this unique collection reflect a wide range of fundamental and applied research in the chemical sciences and various interdisciplinary subjects. In addition to reviews...

Thirty carefully selected, peer-reviewed contributions from the International Conference on Pure and Applied Chemistry (ICPAC 2016) are featured in this edited book of proceedings. ICPAC 2016, a biennial meeting, was held in Mauritius in July 2016. The chapters in this book reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects. This is a unique collection of full research papers as wel...

DFT methods are widely used in a broad range of disciplines to investigate many body systems. This book provides an overview on contemporary applications of the Density Functional Theory in various fields as computational chemistry, physics or engineering.

Thirty carefully selected, peer-reviewed contributions from the International Conference on Pure and Applied Chemistry (ICPAC 2016) are featured in this edited book of proceedings. ICPAC 2016, a biennial meeting, was held in Mauritius in July 2016. The chapters in this book reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects. This is a unique collection of full research papers as wel...

Eleven carefully selected, peer-reviewed contributions from the Virtual Conference on Computational Science (VCCS-2016) are featured in this edited book of proceedings. VCCS-2016, an annual meeting, was held online from 1st to 31st August 2016. The theme of the conference was "Computational Thinking for the Advancement of Society" and it matched the paradigm shift in the way we think. VCCS-2016 was attended by 100 participants from 20 countrie...

Twenty-three carefully selected, peer-reviewed contributions from the International Conference on Pure and Applied Chemistry (ICPAC 2014) are featured in this edited book of proceedings. ICPAC 2014, a biennial meeting, was held in Mauritius in June 2014. The theme of the conference was “Crystallizing Ideas: The Role of Chemistry” and it matched the declaration of the year 2014 as the International Year of Crystallography. ICPAC 2014 was attend...