Theoretical and Computational Research in the 21st Century
暫譯: 21世紀的理論與計算研究

Islam, Nazmul

Theoretical and Computational Research in the 21st Century
  • 出版商: Apple Academic Press
  • 出版日期: 2021-03-31
  • 售價: $3,570
  • 貴賓價: 9.5 折 $3,392
  • 語言: 英文
  • 頁數: 282
  • 裝訂: Quality Paper - also called trade paper
  • ISBN: 1774633485
  • ISBN-13: 9781774633489

    • 海外代購書籍(需單獨結帳)

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商品描述

This book focuses mainly on the recent developments of all types of theoretical, mathematical, and computational conceptions, as well as modelling and simulation of specific research themes covering all scientific and technical disciplines from chemistry, physics, and engineering to biology and medicine. The book contains timely reviews and research covering fundamental and applied research aspects in all disciplines of natural sciences, including their historical representations and philosophical perspectives.

The book discusses the fact that the largest and smallest values of the fukui function and local softness do not necessarily correspond to the softness and hardness regions of the molecules such as porphyrins. The authors have adopted two popular calculation procedures for this venture. One is the very old Hückel molecular orbital calculation, and the other is one of best semi-empirical AM-1 procedures for such systems. Our finding is that neither the fukui functions nor the local softnesses can predict the preferred donor sites of porphyrins toward metal ions.

商品描述(中文翻譯)

本書主要聚焦於各類理論、數學及計算概念的最新發展，以及涵蓋化學、物理、工程到生物學和醫學等所有科學和技術學科的特定研究主題的建模與模擬。書中包含了及時的評論和研究，涵蓋自然科學各學科的基礎與應用研究方面，包括其歷史表現和哲學觀點。

本書討論了 fukui 函數和局部柔軟度的最大值和最小值不一定對應於分子（如卟啉）的柔軟和硬度區域的事實。作者採用了兩種流行的計算程序來進行這項研究。一種是非常古老的 Hückel 分子軌道計算，另一種是針對此類系統的最佳半經驗 AM-1 程序之一。我們的發現是，無論是 fukui 函數還是局部柔軟度都無法預測卟啉對金屬離子的首選供體位點。

作者簡介

Nazmul Islam, PhD, is a professor at the Department of Basic Sciences & Humanities at Techno Global-Balurghat in Balurghat, D. Dinajpur, India. He is editor-in-chief of The SciTech, Journal of Science & Technology, and Signpost Open Access Journal of Theoretical Sciences. He is also an editorial board member and reviewer for many international journals. He was named a Top 100 Scientists 2012 by International Biographical Centre, Cambridge, England, along with other notable designations. He is the author of several books and book chapters and teaches courses in chemistry, computer and computer applications, and engineering chemistry.

作者簡介(中文翻譯)

Nazmul Islam博士是印度D. Dinajpur的Techno Global-Balurghat基礎科學與人文學系的教授。他是The SciTech, Journal of Science & Technology和Signpost Open Access Journal of Theoretical Sciences的主編。他還是多本國際期刊的編輯委員會成員和審稿人。他於2012年被劍橋的國際傳記中心評選為百大科學家之一，並獲得其他顯著的榮譽。他是多本書籍和書章的作者，並教授化學、計算機及其應用以及工程化學的課程。

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