Model - state-of-the-art modelling and computational analysis of reactive sites: general discussion

被引：0

作者：

Chanbasha, Basheer

Costas, Miquel

Echeverria, Jorge

Eisenstein, Odile

Greenhalgh, Mark

Kennepohl, Pierre

Kirrander, Adam

Linnebank, Pim R. R.

Macgregor, Stuart A. A.

Mahmudov, Kamran T. T.

Martin-Fernandez, Carlos

Meeus, Eva

Perutz, Robin N.

Poater, Albert N.

Morris, Josh

Reek, Joost N. H.

Rouse, Ian

Toste, Dean

Trujillo, Cristina

Ward, Thomas R.

Weinstein, Julia A. A.

Weller, Andrew S. S.

机构：

来源：

FARADAY DISCUSSIONS | 2023年 / 244卷 / 00期

关键词：

AB-INITIO CALCULATION; AGOSTIC INTERACTIONS; OLEFIN METATHESIS; C-H; SPECTROSCOPY; CHEMISTRY; DYNAMICS; DIFFRACTION; MOLECULES;

D O I：

10.1039/d3fd90015k

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：336 / 355

页数：20

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