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Wiley电子期刊(4)
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ACS电子期刊(185)
SpringerLink电子期刊(16)
Elsevier电子期刊(27)
在“
ACS电子期刊
”中,
命中:
185
条,耗时:小于0.01 秒
在所有数据库中总计命中:
236
条
1.
Automatic Generation of Auxiliary Basis Sets
作者:
Georgi L. StoychevAlexander A. Auer
;
Frank
Neese
刊名:Journal of Chemical Theory and Computation
出版年:2017
2.
Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions
作者:
Libor Veis
;
Andrej Antalík
;
Jiří Brabec
;
Frank
Neese
;
Örs Legeza
;
Jiří Pittner
刊名:The Journal of Physical Chemistry Letters
出版年:2017
3.
Toward Rational Design of 3d Transition Metal Catalysts for CO2 Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining Steps
作者:
Bhaskar Mondal
;
Frank
Neese
;
Shengfa Ye
刊名:Inorganic Chemistry
出版年:2016
4.
Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory
作者:
Daniel Aravena
;
Mihail Atanasov
;
Frank
Neese
刊名:Inorganic Chemistry
出版年:2016
5.
Unravelling the Molecular Origin of the Regiospecificity in Extradiol Catechol Dioxygenases
作者:
Gemma J. Christian
;
Frank
Neese
;
Shengfa Ye
刊名:Inorganic Chemistry
出版年:2016
6.
Spectroscopic Evidence for the Two C–H-Cleaving Intermediates of Aspergillus nidulans Isopenicillin N Synthase
作者:
Esta Tamanaha
;
Bo Zhang
;
Yisong Guo
;
Wei-chen Chang
;
Eric W. Barr
;
Gang Xing
;
Jennifer St. Clair
;
Shengfa Ye
;
Frank
Neese
;
J. Martin Bollinger Jr.
;
Carsten Krebs
刊名:Journal of the American Chemical Society
出版年:2016
7.
Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches
作者:
Miho Isegawa
;
Frank
Neese
;
Dimitrios A. Pantazis
刊名:Journal of Chemical Theory and Computation
出版年:2016
8.
Electronic Structures of the [Fe(N2)(SiPiPr3)]+1/0/‿ Electron Transfer Series: A Counterintuitive Correlation between Isomer Shifts and Oxidation States
作者:
Shengfa Ye
;
Eckhard Bill
;
Frank
Neese
刊名:Inorganic Chemistry
出版年:2016
9.
Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides
作者:
Daniel Aravena
;
Frank
Neese
;
Dimitrios A. Pantazis
刊名:Journal of Chemical Theory and Computation
出版年:2016
10.
Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst
作者:
Vera Krewald
;
Marius Retegan
;
Frank
Neese
;
Wolfgang Lubitz
;
Dimitrios A. Pantazis
;
Nicholas Cox
刊名:Inorganic Chemistry
出版年:2016
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