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ACS电子期刊(19)
在“
ACS电子期刊
”中,
命中:
19
条,耗时:小于0.01 秒
在所有数据库中总计命中:
119
条
1.
Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions
作者:
Dongxia
Ma
;
Giovanni Li
Ma
nni
;
Jeppe Olsen
;
Laura Gagliardi
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
Correction to Multiconfiguration Pair-Density Functional Theory
作者:
Giovanni Li
Ma
nni
;
Rebecca K. Carlson
;
Sijie Luo
;
Dongxia
Ma
;
Jeppe Olsen
;
Donald G. Truhlar
;
Laura Gagliardi
刊名:Journal of Chemical Theory and Computation
出版年:2016
3.
Syste
ma
tic Expansion of Active Spaces beyond the CASSCF Limit: A GASSCF/SplitGAS Bench
ma
rk Study
作者:
Konstantinos D. Vogiatzis
;
Giovanni Li
Ma
nni
;
Samuel J. Stoneburner
;
Dongxia
Ma
;
Laura Gagliardi
刊名:Journal of Chemical Theory and Computation
出版年:2015
4.
Multiconfiguration Pair-Density Functional Theory
作者:
Giovanni Li
Ma
nni
;
Rebecca K. Carlson
;
Sijie Luo
;
Dongxia
Ma
;
Jeppe Olsen
;
Donald G. Truhlar
;
Laura Gagliardi
刊名:Journal of Chemical Theory and Computation
出版年:2014
5.
Hopping Transport and Rectifying Behavior in Long Donor鈥揂cceptor Molecular Wires
作者:
Liang Luo
;
Luke Balhorn
;
Bess Vlaisavljevich
;
Dongxia
Ma
;
Laura Gagliardi
;
C. Daniel Frisbie
刊名:Journal of Physical Chemistry C
出版年:2014
6.
SplitGAS Method for Strong Correlation and the Challenging Case of Cr2
作者:
Giovanni Li
Ma
nni
;
Dongxia
Ma
;
Francesco Aquilante
;
Jeppe Olsen
;
Laura Gagliardi
刊名:Journal of Chemical Theory and Computation
出版年:2013
7.
Phenyl Linker-Induced Dense PEG Confor
ma
tion Improves the Efficacy of C-Terminally MonoPEGylated Staphylokinase
作者:
Xiaoying Xue
;
Dongxia
Li
;
Jingkai Yu
;
Guanghui
Ma
;
Zhiguo Su
;
Tao Hu
刊名:Bio
ma
cromolecules
出版年:2013
8.
Calculation of Heats of For
ma
tion for Zn Complexes: Comparison of Density Functional Theory, Second Order Perturbation Theory, Coupled-Cluster and Complete Active Space Methods
作者:
Michael N. Weaver
;
Kenneth M. Merz
;
Jr.
;
Dongxia
Ma
;
Hyun Jung Kim
;
Laura Gagliardi
刊名:Journal of Chemical Theory and Computation
出版年:2013
9.
Responsive S
ma
ll Molecular Hydrogels Based on Ada
ma
ntane鈥揚eptides for Cell Culture
作者:
Cuihong Yang
;
Dongxia
Li
;
Zheng Liu
;
Ge Hong
;
Jun Zhang
;
Deling Kong
;
Zhimou Yang
刊名:The Journal of Physical Chemistry B
出版年:2012
10.
Stretch Effects Induced by Molecular Strain on Weakening 蟽-Bonds: Molecular Design of Long-Lived Diradicals (Biradicals)
作者:
Ma
nabu Abe
;
Haruka Furunaga
;
Dongxia
Ma
;
Laura Gagliardi
;
Graham J. Bodwell
刊名:The Journal of Organic Chemistry
出版年:2012
1
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