Stucture, bonding and reactivity in alkyne analogs
Stucture, bonding and reactivity in alkyne analogs
批准号:
341945-2008
负责人:
Mawhinney, Robert
金额:
$1.6万
依托单位:
依托单位国家:
加拿大
项目类别:
Discovery Grants Program - Individual
财政年份:
2009
资助国家:
加拿大
项目状态:
已结题
起止时间:
2009-01-01 至 2010-12-31
中文摘要
除了元素周期表之外,没有什么比化学键的概念更基本的化学了。最初建议用来解释实验观察和指导新实验的化学键模型,随着外来和神秘化合物的合成越来越多,已经变得越来越复杂。所有模型的核心是刘易斯最初的电子对概念。量子化学的出现帮助巩固了这一概念,自那以后,计算量子化学的进展完善和拓宽了化学键的定义。它还提供了一种检查分子中的概念的方法,这些分子目前由于某些合成限制而无法获得。
英文摘要
Aside from maybe the periodic table, there is nothing more fundamental to chemistry than the concept of the chemical bond. Models of the chemical bond, originally suggested to explain experimental observations and to guide new experiments, have become more and more elaborate as the synthesis of exotic and esoteric chemical compounds has increased. Central to all models is the original electron pair concept of Lewis. The advent of quantum chemistry helped solidify this concept and advances in computational quantum chemistry have since refined and broadened the definition of the chemical bond. It has also provided a means of examining the concept in molecules that are currently unavailable due to certain synthetic limitations.
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会议论文
Towards a Universal Molecular Moiety Feature Set from the Topology of the Electron Density
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批准号:RGPIN-2022-05060
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项目类别:Discovery Grants Program - Individual
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资助金额:$1.75万
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财政年份:2022
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负责人:Mawhinney, Robert
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依托单位:
Stucture, bonding and reactivity in alkyne analogs
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批准号:341945-2008
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项目类别:Discovery Grants Program - Individual
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资助金额:$1.6万
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财政年份:2010
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负责人:Mawhinney, Robert
-
依托单位:
Stucture, bonding and reactivity in alkyne analogs
-
批准号:341945-2008
-
项目类别:Discovery Grants Program - Individual
-
资助金额:$1.6万
-
财政年份:2008
-
负责人:Mawhinney, Robert
-
依托单位:
海外基金