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Computational chemistry : a practical guide for applying techniques to real world problems

Tác giả: David C Young

This book focuses on accurately applying computational chemistry techniques to everyday chemistry problems, describes how the choice of methods of software affects requirements for computer memory and processing time.

Computational chemistry workbook : learning through examples

Tác giả: Thomas Heine, Jan Ole Joswig, Achim Gelessus

This textbook contains 16 different examples transforming the theories into applications invarious fields of chemistry. Includes a Live CD with a bootable Linux system and all the necessary programs, while not being restricted to a particular computer code.