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CNKI学位论文(74)
CNKI期刊论文0611(1)
知网期刊论文(11)
在“
Elsevier电子期刊
”中,
命中:
15
条,耗时:0.0889158 秒
在所有数据库中总计命中:
86
条
1.
Li
+
speciation and the use of
7
Li/
6
Li isotope ratios for ancient climate monitoring
作者:
Stuart Bogatko
;
Philippe Claeys
;
Frank
De
Proft
;
Paul Geerlings
关键词:
Aqueous lithium
;
Isotope fractionation
;
Ancient climate
;
De
nsity functional theory
;
Carbonate formation
刊名:Chemical Geology
出版年:24 October, 2013
2.
Ring currents and their origin in the modified all-metal aromatics, and
作者:
Stijn Fias
;
Paul Geerlings
;
Frank
De
Proft
关键词:
Metal aromaticity
;
Ring current maps
;
Planar tetracoordinate carbon
刊名:Computational and Theoretical Chemistry
出版年:2013
3.
Conceptual
de
nsity functional theory based intrinsic radical stabilities: Application to substituted silylenes and p-benzynes
作者:
Freija
De
Vleeschouwer
;
Frank
De
Proft
;
Paul Geerlings
关键词:
Conceptual DFT
;
Silylenes
;
p
-Benzynes
;
Radical stability
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2010
4.
The linear response kernel of conceptual DFT as a measure of electron
de
localisation
作者:
Nick Sablon
;
Frank
De
Proft
;
Paul Geerlings
刊名:Chemical Physics Letters
出版年:2010
5.
The differences in solid state structures of C
作者:
Petr Š
;
vec
;
Z
de
ň
;
ka Padě
;
lková
;
Z
de
ně
;
k Č
;
ernoš
;
ek
;
Frank
De
Proft
;
Aleš
;
Rů
;
ž
;
ič
;
ka
关键词:
Organotin(IV) fluori
de
s
;
CN-ligand
;
Structure
刊名:Journal of Organometallic Chemistry
出版年:2008
6.
Relationship between electrophilicity and spin-philicity of divalent and monovalent species of group 14 and 15 elements
作者:
Julianna Olá
h ;
Frank
De
Proft
;
Tamá
;
s Veszpré
;
mi and Paul Geerlings
关键词:
Singlet-triplet energy gap
;
Carbenes
;
Silylenes
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2006
7.
Molecular quantum similarity of enantiomers of amino acids: a case study
作者:
Greet Boon
;
Christian Van Alsenoy
;
Frank
De
Proft
;
Patrick Bultinck and Paul Geerlings
关键词:
Quantum similarity
;
Enantiomers
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2005
8.
??-Aromaticity in
Formula Not Shown
: Insights from ring-current maps
作者:
Havenith
;
Remco W.A.
;
De
Proft
;
Frank
;
Fowler
;
Patrick W.
;
Geerlings
;
Paul
刊名:Chemical Physics Letters
出版年:2005
9.
Effect of the ????-???? stacking interaction on the acidity of phenol
作者:
Olasz
;
Andr??s
;
Mignon
;
Pierre
;
De
Proft
;
Frank
;
Veszpr??mi
;
Tam??s
;
Geerlings
;
Paul
刊名:Chemical Physics Letters
出版年:2005
10.
DFT study on the electrophilic aromatic substitution catalyzed by Lewis acids
作者:
Vos
;
Ann M.
;
Schoonheydt
;
Robert A.
;
De
Proft
;
Frank
;
Geerlings
;
Paul
关键词:
Lewis acidity
;
Zeolites
;
Methylation of benzene
;
H-exchange of benzene
;
DFT
;
Reaction rate constants
;
HSAB
;
Local softness
;
Local hardness
刊名:Journal of Catalysis
出版年:2003
1
2
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2003年(1)
2000年及以前(5)
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