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内部出版物
Wiley电子期刊(1)
SpringerLink电子期刊(5)
Elsevier电子期刊(10)
ACS电子期刊(8)
在“
SpringerLink电子期刊
”中,
命中:
5
条,耗时:小于0.01 秒
在所有数据库中总计命中:
24
条
1.
Nonempirically tuning range-separated functionals for dipole polarizabilities of nanostructures containing hydrogen bonds
作者:
Mojtaba
Alipour
;
Parisa Fallahzadeh
关键词:
Isotropic polarizability
;
Anisotropic polarizability
;
Hydrogen
;
bonded nanocluster
;
Optimally tuned functionals
刊名:Theoretical Chemistry Accounts
出版年:2017
2.
On the performance of time-dependent double-hybrid density functionals for description of absorption and emission spectra of heteroaromatic compounds
作者:
Mojtaba
Alipour
关键词:
Excited state
;
TD
;
DHDFT
;
SAC
;
CI
;
WFT
刊名:Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
出版年:2016
3.
Designing a paradigm for parameter-free double-hybrid density functionals through the adiabatic connection path
作者:
Mojtaba
Alipour
关键词:
Double
;
hybrid
;
Density functional theory
;
Adiabatic connection
;
Parameter
;
free
刊名:Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
出版年:2015
4.
Comparison between hybrid functionals free of adjustable parameters and symmetry-adapted cluster–configuration interaction for electronically excited states of organic compounds: TD-PBE0-1/3 is better than expected
作者:
Mojtaba
Alipour
关键词:
DFT
;
WFT
;
Parameter
;
free functional
;
SAC–CI
;
Excitation energy
刊名:Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
出版年:2015
5.
Prediction and characterization of halogen–hydride interaction in Cu n H n ···ClC2Z and Cu
作者:
Afshan Mohajeri (1)
Imaneh Baresh (1)
Mojtaba
Alipour
(1)
关键词:
Halogen–hydride bond
;
Hydrocopper clusters
;
Copper cluster hydrides
刊名:Structural Chemistry
出版年:2013
1
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