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内部出版物
在“
Elsevier电子期刊
”中,
命中:
15
条,耗时:小于0.01 秒
1.
Computational and experimental studies into NMR characterization of [2+2] cycloaddition products of norbornene
作者:
Krzysztof
Mierzwicki
a
;
Ewa Rzepecka
a
;
Izabela Czeluś
;
niak
a
;
Teresa Szymań
;
ska-Buzar
;
a
;
tsz@wchuwr.pl"" rel=""nofollow
刊名:Chemical Physics Letters
出版年:2011
2.
AIM and ELF analysis of the H-, Me-, and F-substituted Fe
III
–TAML complexes
作者:
Krzysztof
Mierzwicki
;
a
;
krzysiek@elrond.chem.uni.wroc.pl"" rel=""nofollow
;
Sł
;
awomir Berski
a
;
Zdzisł
;
aw Latajka
a
刊名:Chemical Physics Letters
出版年:2011
3.
Nature of bonding in substituted polyacetylene: A combined AIM–ELF analysis
作者:
Piotr Durlak
;
Krzysztof
Mierzwicki
;
Zdzisł
;
aw Latajka
;
Henryk Ratajczak
关键词:
Polyacetylene
;
AIM
;
ELF
;
Nature of bond
刊名:Journal of Molecular Structure
出版年:2010
4.
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride
作者:
Przemysł
;
aw Dopieralski
;
Jarosł
;
aw Panek
;
Krzysztof
Mierzwicki
;
Zdzisł
;
aw Latajka
;
Henryk Ratajczak
;
Austin Barnes
关键词:
Nonlinear optics
;
Time-dependent Hartree–
;
Fock (TDHF) method
;
Finite Field (FF) method
;
Polarizabilities
;
Hyperpolarizabilities
;
Hydrogen bond
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2009
5.
Structural role of hydrogen bond networks in amino acid–acid systems. (I) The network with highly polarizable OHO hydrogen bonds in sarcosine–methanesulfonic acid (2:1) crystal
作者:
Marek Ilczyszyn
;
Dorota Chwaleba
;
Krzysztof
Mierzwicki
;
Maria M. Ilczyszyn
关键词:
Sarcosine–
;
methanesulfonic acid crystal
;
X-ray
;
IR
;
DSC
;
DFT
;
Hydrogen bond
;
Proton transfer
;
Polarizability
;
Phase transition
刊名:Chemical Physics
出版年:2008
6.
Erratum to “Structural role of hydrogen bond networks in amino acid – acid systems. (I) The network with highly polarizable OHO hydrogen bonds in sarcosine – methanesulfonic acid
作者:
Marek Ilczyszyn
;
Dorota Chwaleba
;
Krzysztof
Mierzwicki
;
Maria M. Ilczyszyn
刊名:Chemical Physics
出版年:2009
7.
The protocovalent NO bond: Quantum chemical topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid HONO and its relevancy to the experiment
作者:
Slawomir Berski
;
Krzysztof
Mierzwicki
;
Andrzej Bil
;
Zdzislaw Latajka
刊名:Chemical Physics Letters
出版年:2008
8.
13
C chemical shift tensors of hydrogen bonded amino acids: Relations between experimental and calculated results
作者:
Marek Ilczyszyn
;
Dorota Godzisz
;
Maria M. Ilczyszyn and
Krzysztof
Mierzwicki
关键词:
β
;
-Alanine
;
Betaine
;
Glycine
;
Sarcosine
;
Crystal complexes
;
Solid state
13
C NMR
;
Protonation
;
Hydrogen bond
;
Low-barrier hydrogen bond
;
Chemical shift tensor
;
GIAO calculations
刊名:Chemical Physics
出版年:2006
9.
Trimers and tetramers of MH and MH
3
(M = Al, Ga): Theoretical study
作者:
Jerzy Moc
;
Karolina Bober and
Krzysztof
Mierzwicki
关键词:
Al
3
H
3
(Ga
3
H
3
)
;
Al
3
H
9
(Ga
3
H
9
)
;
Al
4
H
4
(Ga
4
H
4
)
;
Al
4
H
12
(Ga
4
H
12
)
;
Ab initio and density
刊名:Chemical Physics
出版年:2006
10.
Theoretical studies of cooperativity effects in the ternary complexes of nitrous acid with ammonia and water
作者:
Olbert-Majkut
;
Adriana
;
Mierzwicki
;
Krzysztof
;
Mielke
;
Zofia
关键词:
Hydrogen bonding
;
Ab initio
;
DFT
;
Cooperativity
;
Nitrous acid
;
Ammonia
;
Water
刊名:Journal of Molecular Structure
出版年:2005
1
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