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Wiley电子期刊(1)
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ACS电子期刊(95)
SpringerLink电子期刊(52)
Elsevier电子期刊(76)
在“
ACS电子期刊
”中,
命中:
95
条,耗时:小于0.01 秒
在所有数据库中总计命中:
226
条
1.
Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to Oligoacenes
作者:
Joonho LeeDavid W. Small
;
Evgeny Epifanovsky
;
Martin
Head
-
Gordon
刊名:Journal of Chemical Theory and Computation
出版年:2017
2.
Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals
作者:
Narbe MardirossianLuis Ruiz Pestana
;
James C. WomackChris-Kriton Skylaris
;
Teresa
Head
-
Gordon
;
Martin
Head
-
Gordon
刊名:The Journal of Physical Chemistry Letters
出版年:2017
3.
Efficient Implementation of Energy Decomposition Analysis for Second-Order Møller–Plesset Perturbation Theory and Application to Anion−π Interactions
作者:
Jonathan Thirman
;
Martin
Head
-
Gordon
刊名:Journal of Physical Chemistry A
出版年:2017
4.
Theoretical Study of 4-(Hydroxymethyl)benzoic Acid Synthesis from Ethylene and 5-(Hydroxymethyl)furoic Acid Catalyzed by Sn-BEA
作者:
Yi-Pei Li
;
Martin
Head
-
Gordon
;
Alexis T. Bell
刊名:ACS Catalysis
出版年:2016
5.
Finding Our Way in the Dark Proteome
作者:
Asmit Bhowmick
;
David H. Brookes
;
Shane R. Yost
;
H. Jane Dyson
;
Julie D. Forman-Kay
;
Daniel Gunter
;
Martin
Head
-
Gordon
;
Gregory L. Hura
;
Vijay S. Pande
;
David E. Wemmer
;
Peter E. Wright
;
Teresa
Head
-
Gordon
刊名:Journal of the American Chemical Society
出版年:2016
6.
A Combined Experimental and Theoretical Study on the Formation of the 2-Methyl-1-silacycloprop-2-enylidene Molecule via the Crossed Beam Reactions of the Silylidyne Radical (SiH; X2Π) with Methylacetylene (CH3CCH; X1A1) and D4-Methylacetylene (CD3CCD; X1A1)
作者:
Tao Yang
;
Beni B. Dangi
;
Ralf I. Kaiser
;
Luke W. Bertels
;
Martin
Head
-
Gordon
刊名:Journal of Physical Chemistry A
出版年:2016
7.
Probing Ionic Complexes of Ethylene and Acetylene with Vacuum-Ultraviolet Radiation
作者:
Biswajit Bandyopadhyay
;
Tamar Stein
;
Yigang Fang
;
Oleg Kostko
;
Alec White
;
Martin
Head
-
Gordon
;
Musahid Ahmed
刊名:Journal of Physical Chemistry A
出版年:2016
8.
Complex Orbitals, Multiple Local Minima, and Symmetry Breaking in Perdew–Zunger Self-Interaction Corrected Density Functional Theory Calculations
作者:
Susi Lehtola
;
Martin
Head
-
Gordon
;
Hannes Jónsson
刊名:Journal of Chemical Theory and Computation
出版年:2016
9.
Thermodynamics of Anharmonic Systems: Uncoupled Mode Approximations for Molecules
作者:
Yi-Pei Li
;
Alexis T. Bell
;
Martin
Head
-
Gordon
刊名:Journal of Chemical Theory and Computation
出版年:2016
10.
Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model
作者:
Jason D. Goodpaster
;
Alexis T. Bell
;
Martin
Head
-
Gordon
刊名:The Journal of Physical Chemistry Letters
出版年:2016
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