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在“
ACS电子期刊
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命中:
220
条,耗时:小于0.01 秒
在所有数据库中总计命中:
335
条
1.
Self-Consistent Constricted Variational Theory RSCF-CV(∞)-DFT and Its Restrictions To Obtain a Numerically Stable ΔSCF-DFT-like Method: Theory and Calculations for Triplet States
作者:
Young Choon Park
;
Florian Senn
;
Mykhaylo Krykunov
;
Tom
Ziegler
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
Applications of Time-Dependent and Time-Independent Density Functional Theory to Rydberg Transitions
作者:
Issaka Seidu
;
Mykhaylo Krykunov
;
Tom
Ziegler
刊名:Journal of Physical Chemistry A
出版年:2015
3.
Applications of Time-Dependent and Time-Independent Density Functional Theory to Electronic Transitions in Tetrahedral d0 Metal Oxides
作者:
Issaka Seidu
;
Mykhaylo Krykunov
;
Tom
Ziegler
刊名:Journal of Chemical Theory and Computation
出版年:2015
4.
Analysis of the Bonding between Two M(μ-NAr#) Monomers in the Dimeric Metal(II) Imido Complexes {M(μ-NAr#)}2 [M = Si, Ge, Sn, Pb; Ar# = C6H3
作者:
Mateusz Brela
;
Artur Michalak
;
Philip P. Power
;
Tom
Ziegler
刊名:Inorganic Chemistry
出版年:2014
5.
Applications of Time Dependent and Time Independent Density Functional Theory to the First 蟺 to 蟺* Transition in Cyanine Dyes
作者:
Hristina Zhekova
;
Mykhaylo Krykunov
;
Jochen Autschbach
;
Tom
Ziegler
刊名:Journal of Chemical Theory and Computation
出版年:2014
6.
Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the
作者:
Tom
Ziegler
;
Mykhaylo Krykunov
;
Jochen Autschbach
刊名:Journal of Chemical Theory and Computation
出版年:2014
7.
The Role of External Alkoxysilane Donors on Stereoselectivity and Molecular Weight in MgCl2-Supported
Ziegler
鈥揘atta Propylene Polymerization: A Density Functional Theory Study
作者:
Tebikie Wondimagegn
;
Tom
Ziegler
刊名:The Journal of Physical Chemistry C
出版年:2012
8.
Role Played by Isopropyl Substituents in Stabilizing the Putative Triple Bond in Ar鈥睧EAr鈥?[E = Si, Ge, Sn; Ar鈥?= C6H3-2,6-(C6H3-2,6-Pri2
作者:
Issaka Seidu
;
Michael Seth
;
Tom
Ziegler
刊名:Inorganic Chemistry
出版年:2013
9.
Self-consistent Formulation of Constricted Variational Density Functional Theory with Orbital Relaxation. Implementation and Applications
作者:
Mykhaylo Krykunov
;
Tom
Ziegler
刊名:Journal of Chemical Theory and Computation
出版年:2013
10.
First-Principles Investigation of Selective Oxidation of Propane on Clean and Sulfided V2O5 (010) Surfaces
作者:
John M. H. Lo
;
Zahra A. Premji
;
Tom
Ziegler
;
Peter D. Clark
刊名:The Journal of Physical Chemistry C
出版年:2013
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