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书目名称Density Functional Theory IV影响因子(影响力)<br>        http://figure.impactfactor.cn/if/?ISSN=BK0265631<br><br>        <br><br>书目名称Density Functional Theory IV影响因子(影响力)学科排名<br>        http://figure.impactfactor.cn/ifr/?ISSN=BK0265631<br><br>        <br><br>书目名称Density Functional Theory IV网络公开度<br>        http://figure.impactfactor.cn/at/?ISSN=BK0265631<br><br>        <br><br>书目名称Density Functional Theory IV网络公开度学科排名<br>        http://figure.impactfactor.cn/atr/?ISSN=BK0265631<br><br>        <br><br>书目名称Density Functional Theory IV被引频次<br>        http://figure.impactfactor.cn/tc/?ISSN=BK0265631<br><br>        <br><br>书目名称Density Functional Theory IV被引频次学科排名<br>        http://figure.impactfactor.cn/tcr/?ISSN=BK0265631<br><br>        <br><br>书目名称Density Functional Theory IV年度引用<br>        http://figure.impactfactor.cn/ii/?ISSN=BK0265631<br><br>        <br><br>书目名称Density Functional Theory IV年度引用学科排名<br>        http://figure.impactfactor.cn/iir/?ISSN=BK0265631<br><br>        <br><br>书目名称Density Functional Theory IV读者反馈<br>        http://figure.impactfactor.cn/5y/?ISSN=BK0265631<br><br>        <br><br>书目名称Density Functional Theory IV读者反馈学科排名<br>        http://figure.impactfactor.cn/5yr/?ISSN=BK0265631<br><br>        <br><br>

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tackle 发表于 2025-3-22 06:52:16

0340-1022 Overview: 978-3-662-14841-9978-3-540-49951-0Series ISSN 0340-1022 Series E-ISSN 1436-5049

CUR 发表于 2025-3-22 11:58:08

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并排上下 发表于 2025-3-22 15:42:27

https://doi.org/10.1007/3-540-61131-2Computer Chemie; Dichtefunktional-Theorie; Pericyclic reaction; computational chemistry; density functio

并排上下 发表于 2025-3-22 20:20:26

978-3-662-14841-9Springer-Verlag Berlin Heidelberg 1996

occult 发表于 2025-3-22 23:28:16

Reactivity criteria in charge sensitivity analysis,lished within the density functional theory, is used as a diagnostic tool for probing trends in the chemical reactivity of large molecular systems. The new criteria are reviewed with special emphasis on two-reactant reactivity concepts, which explicitly take into account the interaction between reac

Exhilarate 发表于 2025-3-23 03:37:34

Strengthening the foundations of chemical reactivity theory,n chemistry. In work of Parr and collaborators in the 1980s, the theory was grounded in a rigorous formulation of many-body theory and density functional theory, and its richness and promise were made manifest in contemporaneous work by Nalewajski and collaborators. Nevertheless, many fundamental is

全神贯注于 发表于 2025-3-23 08:03:19

Die Gedächtnisse unterhalten sichd and inter-reactant-coupling modes. The charge-coupling information in the atoms-in-molecules resolution is modelled by the hardness matrix, which provides the canonical input data for determining a series of chemically interesting probes for diagnosing reactivity trends. A survey of these concepts
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查看完整版本: Titlebook: Density Functional Theory IV; Theory of Chemical R R. F. Nalewajski Book 1996 Springer-Verlag Berlin Heidelberg 1996 Computer Chemie.Dichte