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ACS电子期刊(52)
在“
ACS电子期刊
”中,
命中:
52
条,耗时:小于0.01 秒
在所有数据库中总计命中:
104
条
1.
Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation: Application to the Calculation of Nonlinear Optical Properties
作者:
Lukas Konecny
;
Marius Kadek
;
Stanislav Komorovsky
;
Olga L. Malkina
;
Kenneth
Ruud
;
Michal Repisky
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
Structure, NMR and Electronic Spectra of [m.n]Paracyclophanes with Varying Bridges Lengths (m, n = 2–4)
作者:
Taye B. Demissie
;
Helena Dodziuk
;
Jacek Waluk
;
Kenneth
Ruud
;
Mariusz Pietrzak
;
Volha Vetokhina
;
S?awomir Szymański
;
Jaros?aw Ja?wiński
;
Henning Hopf
刊名:Journal of Physical Chemistry A
出版年:2016
3.
Five-Photon Absorption and Selective Enhancement of Multiphoton Absorption Processes
作者:
Daniel H. Friese
;
Radovan Bast
;
Kenneth
Ruud
刊名:ACS Photonics
出版年:2015
4.
Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotr
作者:
Sebastian Gohr
;
Peter Hrobárik
;
Michal Repisky
;
Stanislav Komorovsky
;
Kenneth
Ruud
;
Martin Kaupp
刊名:Journal of Physical Chemistry A
出版年:2015
5.
DFT as a Powerful Predictive Tool in Photoredox Catalysis: Redox Potentials and Mechanistic Analysis
作者:
Taye B. Demissie
;
Kenneth
Ruud
;
J酶rn H. Hansen
刊名:Organometallics
出版年:2015
6.
Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin鈥揜otation Constants: Relativistic Effects in p-Block Hydrides
作者:
Stanislav Komorovsky
;
Michal Repisky
;
Elena Malkin
;
Taye B. Demissie
;
Kenneth
Ruud
刊名:Journal of Chemical Theory and Computation
出版年:2015
7.
Open-Ended Recursive Calculation of Single Residues of Response Functions for Perturbation-Dependent Basis Sets
作者:
Daniel H. Friese
;
Magnus Ringholm
;
Bin Gao
;
Kenneth
Ruud
刊名:Journal of Chemical Theory and Computation
出版年:2015
8.
Excitation Energies from Real-Time Propagation of the Four-Component Dirac鈥揔ohn鈥揝ham Equation
作者:
Michal Repisky
;
Lukas Konecny
;
Marius Kadek
;
Stanislav Komorovsky
;
Olga L. Malkin
;
Vladimir G. Malkin
;
Kenneth
Ruud
刊名:Journal of Chemical Theory and Computation
出版年:2015
9.
Polarizable Density Embedding: A New QM/QM/MM-Based Computational Strategy
作者:
J贸gvan Magnus Haugaard Olsen
;
Casper Steinmann
;
Kenneth
Ruud
;
Jacob Kongsted
刊名:Journal of Physical Chemistry A
出版年:2015
10.
Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix Elements
作者:
Daniel H. Friese
;
Maarten T. P. Beerepoot
;
Magnus Ringholm
;
Kenneth
Ruud
刊名:Journal of Chemical Theory and Computation
出版年:2015
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