The MP2 binding energy of the ethene dimer and its dependence on the auxiliary basis sets: a benchmark study using a newly developed infrastructure for the processing of quantum chemical data-Reference-Cited by-同舟云学术

The MP2 binding energy of the ethene dimer and its dependence on the auxiliary basis sets: a benchmark study using a newly developed infrastructure for the processing of quantum chemical data

Published:2012-08-02 Issue:19-20 Volume:110 Page:2523-2534
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Glöß Andreas¹,Brändle Martin P.²,Klopper Wim³,Lüthi Hans P.¹

Affiliation:

1. a Laboratory of Physical Chemistry , ETH Zurich, Wolfgang-Pauli-Strasse 10, 8093 Zurich , Switzerland

2. b Chemistry Biology Pharmacy Information Center , ETH Zurich, Wolfgang-Pauli-Strasse 10, 8093 Zurich , Switzerland

3. c Theoretical Chemistry Group , Institute of Physical Chemistry, Karlsruhe Institute of Technology , KIT Campus South, P.O. Box 6980, 76049 Karlsruhe , Germany

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2012.708793

Reference44 articles.

1. Foresman , J . (2011, private communication)

3. Chemical Markup, XML, and the World Wide Web. 4. CML Schema

4. Incorporation of middleware and grid technologies to enhance usability in Computational Chemistry applications

Cited by 9 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Exploring Machine Learning Tools for the Prediction of the Stability of New Togni-type Reagents;CHIMIA;2019-12-18

2. Best methods for calculating interaction energies in 2-butene and butane systems;Computational and Theoretical Chemistry;2017-10

3. Why do the Togni reagent and some of its derivatives exist in the high-energy hypervalent iodine form? New insight into the origins of their kinetic stability;Physical Chemistry Chemical Physics;2017

4. The quantum chemical search for novel materials and the issue of data processing: The InfoMol project;Journal of Computational Science;2016-07

5. LOW TEMPERATURE FORMATION OF NITROGEN-SUBSTITUTED POLYCYCLIC AROMATIC HYDROCARBONS (PANHs)—BARRIERLESS ROUTES TO DIHYDRO(iso)QUINOLINES;The Astrophysical Journal;2015-12-16