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Theor Chem Account (2008) 120:215–241 DOI 10.1007/s00214-007-0310-x REGULAR ARTICLE The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

05.02.2019 · core-valence bifurcation (CVB)指数是最初在Theor. Chem. Acc., 104,13 (2000)中由Silvi等人提出的一种考察氢键强度的方法，它利用了电子定域化函数(ELF)的拓扑分析的思想。如果对ELF不熟悉的话，请参阅《ELF ...

《theor chem acc》发布于爱科学网，并永久归类相关sci期刊导航类别中，本站只是硬性分析 "《theor chem acc》" 的杂志可信度。杂志真正的价值在于它是否为社会的发展带来积极促进作用。"《theor chem acc》" 的价值还取决于各种因素的综合分析。

Theor. Chem. Acc. 131 2012,1081. This review discusses all exact-​decoupling approaches and presents the first direct numerical comparison of them.

Theoretical Chemistry Accounts: Theory, Computation, and Modeling is a peer-reviewed scientific journal publishing original (primary) research and review articles in theoretical chemistry, physical chemistry, quantum chemistry, and computational chemistry. It was founded in 1962 as Theoretica Chimica Acta. The publisher is Springer Berlin Heidelberg. The impact factorof this journal is 2.233 (2014). The editor-in-chief is the team of Carlo Adamo and Ilaria Ciofini, the asso…

13.01.2022 · Win a copy of “Computational Approaches for Chemistry Under Extreme Conditions”, edited by Nir Goldmann and eternal fame. How? Enter the cover competition of the journal Theoretical Chemistry Accounts. Deadline: 29th February, 2020.

Volume 117 January - May 2007. May 2007, issue 5-6. Theoretical and Computational Chemistry in Italy. April 2007, issue 4. March 2007, issue 3. February 2007, issue 2. Special Issue: ECCC10.

Jan 13, 2022 · Win a copy of “Computational Approaches for Chemistry Under Extreme Conditions”, edited by Nir Goldmann and eternal fame. How? Enter the cover competition of the journal Theoretical Chemistry Accounts. Deadline: 29th February, 2020.

Theoretical Chemistry Accounts Impact Factor, IF, number of article, detailed information and journal factor. ISSN: 1432-881X.

Volume 117 January - May 2007. May 2007, issue 5-6. Theoretical and Computational Chemistry in Italy. April 2007, issue 4. March 2007, issue 3. February 2007, issue 2. Special Issue: ECCC10.

Theoretical Chemistry Accounts SCR Journal Impact Factor History · 2020 Impact Factor 1.693 · 2019 Impact Factor 1.411 · 2018 Impact Factor 1.568 · 2017 Impact ...

影响因子:1.7. 经验分享：THEOR CHEM ACC的2020年度 #影响因子# 为1.702. 100 0. 2021-02-24 ms5413142457057855. THEOR CHEM ACC的2019年度 #影响因子# 为1.498，到2020年度能否突破2分，6月份便知晓了. 35 0. 2017-07-18 li071636. 上涨影响因子，真心太难，看样子，也不知道哪一年能超过2分 ...

Aug 12, 2005 · Dyall KG (2004) Theor Chem Acc 112:403–409. Google Scholar 15. Dobbs KD, Hehre WJ (1987) J Comp Chem 8:880–893. Google Scholar 16. Walch SP, Bauschlicher CW, Jr., Nelin CJ (1983) J Chem Phys 79:3600–3602. Google Scholar 17. Kellö V, Sadlej AJ (1996) Theor Chim Acta 94:93–104

The abbreviation of the journal title "Theoretical chemistry accounts" is "Theor. Chem. Acc.". It is the recommended abbreviation to be used for abstracting, ...

20.06.2021 · Introducing oganesson tetratennesside. Credit: Theor. Chem. Acc. Relativistic computations predict that tetrahedral OgTs 4 (left) is stable—about 1 eV more stable than its square planar analog ...

The Standard Abbreviation (ISO4) of Theoretical Chemistry Accounts is Theor Chem Acc. Theoretical Chemistry Accounts should be cited as Theor Chem Acc for ...

08.06.2016 · Chem. Chem. Phys., 13, 6670-6688 (2011)就这么用。 ... 3027、Theor. Chem. Acc., 128, 295。也就是将原先基组中指数最小的s和p的指数除以3作为弥散函数的指数，但不对氢加弥散函数。这种处理后的def2基组可以直接从这里获得Gaussian ...

Theoretical Chemistry Accounts. Abbreviation: Theor Chem Acc. ISSN: 1432-881X (Print) 1432-2234 (Electronic) 1432-2234 (Linking) ...

期刊名称, THEORETICAL CHEMISTRY ACCOUNTS THEOR CHEM ACC. 期刊ISSN, 1432-881X. 期刊官方网站, http://link.springer.com/journal/214.

For more than 50 years, TCA has published high-quality papers in all fields of theoretical chemistry, computational chemistry, and modeling.

Theor. Chem. Acc. (IF 1.702) Pub Date : 2021-11-29. Pettersson, Lars G. M., Takahashi, Osamu. A genetic algorithm (GA) is developed and applied to make ...

Chem. Acc. Theoretical Chemistry Accounts: Theory, Computation, and Modeling is a peer-reviewed scientific journal publishing original (primary) research and review articles in theoretical chemistry, physical chemistry, quantum chemistry, and computational chemistry. It was founded in 1962 as Theoretica Chimica Acta.

12.07.2007 · We present two new hybrid meta exchange- correlation functionals, called M06 and M06-2X. The M06 functional is parametrized including both transition metals and nonmetals, whereas the M06-2X functional is a high-nonlocality functional with double the amount of nonlocal exchange (2X), and it is parametrized only for nonmetals.The functionals, along with …

TCA publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling. Fundamental studies as well as applications are included ...

Mar 30, 2000 · The importance of antiperiplanarity" Anh NT, Eisenstein O (1977) Nouv J Chim 1: 61-70 Theor Chem Acc 103 (2000) 3/4, 330-331 DOI 10.1007/s002149900037 Article in PDF format (64 KB) David A. Case: perspective: Perspective on "Dynamics of folded proteins" McCammon JA, Gelin BR, Karplus M (1977) Nature 267: 585-590 Theor Chem Acc 103 (2000) 3/4 ...

12 rader · Journal Abbreviation: THEOR CHEM ACC Journal ISSN: 1432-881X. About …

Theoretical Chemistry Accounts: Theory, Computation, and Modeling is a peer-reviewed scientific journal publishing original (primary) research and review ...