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内部出版物
CNKI学位论文(7)
知网期刊论文(2)
在“
Elsevier电子期刊
”中,
命中:
4
条,耗时:小于0.01 秒
在所有数据库中总计命中:
9
条
1.
Quantum chemical studies o
f
molecules incorporating a Cu
2
O
2
2+
core
作者:
Benjamin
F
.
Gherman
;
Christopher J. Cramer
关键词:
Oxytyrosinase
;
Oxyhemocyanin
;
C–
;
H bond activation
;
Aromatic hydroxylation
;
μ
;
-η
;
2
;
η
;
2
-Peroxo dicopper
;
Bis(μ
;
-oxo) dicopper
;
Non-dynamical electron correlation
;
Dynamical electron correlation
;
Density
f
unct
刊名:Coordination Chemistry Reviews
出版年:2009
2.
How iron-containing proteins control dioxygen chemistry: a detailed atomic level description via accurate quantum chemical and mixed quantum mechanics/molecular mechanics calculations
作者:
F
riesner
;
Richard A.
;
Baik
;
Mu-Hyun
;
Gherman
;
Benjamin
F
.
;
Guallar
;
Victor
;
Wirstam
;
Maria
;
et. al.
关键词:
Iron-containing proteins
;
Dioxygen chemistry
;
Mixed quantum mechanics/molecular mechanics calculations
刊名:Coordination Chemistry Reviews
出版年:2003
3.
Quantum chemical studies o
f
methane monooxygenase: comparision with P450
作者:
Guallar
;
Victor
;
Gherman
;
Benjamin
F
.
;
Lippard
;
Stephen J.
;
F
riesner
;
Richard A.
关键词:
Methane monooxygenase
;
P450
;
quantum-chemical studies
;
D
F
T
;
density
f
unctional theory
;
MMO
;
bioinorganic chemistry
;
Chemical Biology
刊名:Current Opinion in Chemical Biology
出版年:2002
4.
Comparison o
f
the INDO band structures o
f
polyacetylene, polythiophene, poly
f
uran, and polypyrrole
作者:
Ivanov
;
Ivaylo
;
Gherman
;
Benjamin
F
.
;
Yaron
;
David
关键词:
Semiempirical models and model calculations
;
Polythiophene and derivatives
;
Polypyrrole and derivatives
刊名:Synthetic Metals
出版年:2001
1
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