Modeling marvels : computational anticipation of novel molecules

• Main Author: Lewars, Errol G.
• Format: Book
• Language: English
• Published: Springer 2017
• Subjects: Molecules > Models > Computer simulation ; Science: Chemistry.; 541.22
• Online Access: http://repository.vnu.edu.vn/handle/VNU_123/28311
• Institution: Vietnam National University, Hanoi

The aim of this book is to survey a number of chemical compounds that chemists, both theoretical and experimental, find fascinating. Some of these compounds, like planar carbon species or oxirene, offer no obvious practical applications; nitrogen oligomers and polymers, in contrast, have been touted as possible high-energy-density materials. What unites this otherwise eclectic collection is that these substances are unknown and offer a challenge to theory and to synthesis. It is envisioned that this collection of idiosynchractic molecules will appeal to chemists who find the study of chemical oddities interesting and, on occasion, even rewarding.