Bond Orders and Energy Components

István Mayer

  • 出版商: CRC Press
  • 出版日期: 2016-09-01
  • 定價: USD $179.95
  • 售價: $4,593
  • 貴賓價: 9.5$4,363
  • 語言: 英文
  • 頁數: 239
  • 裝訂: Hardcover
  • ISBN: 1420090119
  • ISBN-13: 9781420090116

代購書籍(需要單獨結帳) (約2週~4週)

產品描述

While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions. Saving researchers vast time and potential confusion, this volume collects and organizes those validated tools currently scattered throughout the literature and details their application. It provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.