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1 . Academic Journal
DFT benchmark study for the oxidative addition of CH 4 to Pd. Performance of various density functionals
저자
by
de Jong, G. Theodoor
;
Geerke, Daan P.
;
Diefenbach, Axel
;
Matthias Bickelhaupt, F.
.
소스
In
Chemical Physics
2005 313(1):261-270
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6 . Academic Journal
Activation of C–H, C–C and C–I bonds by Pd and cis-Pd(CO) 2I 2. Catalyst–substrate adaptation
저자
by
Diefenbach, Axel
;
Bickelhaupt, F. Matthias
.
소스
In
Journal of Organometallic Chemistry
2005 690(9):2191-2199
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4 . Academic Journal
Oxidative addition of Pd to C–H, C–C and C–Cl bonds: Importance of relativistic effects in DFT calculations.
저자
by
Diefenbach, Axel
;
Bickelhaupt, F. Matthias
.
소스
Journal of Chemical Physics
. Sep2001, Vol. 115 Issue 9, p4030. 11p. 4 Diagrams, 4 Charts, 2 Graphs.
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4 . Academic Journal
Oxidative addition of the ethane C&bond;C bond to Pd. An ab initio benchmark and DFT validation study.
저자
by
De Jong, G. Theodoor
;
Geerke, Daan P.
;
Diefenbach, Axel
;
Solá, Miquel
;
Bickelhaupt, F. Matthias
.
소스
Journal of Computational Chemistry
. 2005, Vol. 26 Issue 10, p1006-1020. 15p. 2 Diagrams, 9 Charts, 5 Graphs.
Web of Science
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7 . Academic Journal
DFT benchmark study for the oxidative addition of CH
4
to Pd. Performance of various density functionals
저자
by
de Jong, G. Theodoor
;
Geerke, Daan P.
;
Diefenbach, Axel
;
Matthias Bickelhaupt, F.
.
소스
Chemical Physics
. Jun2005, Vol. 313 Issue 1-3, p261-270. 10p.
Full Text (ScienceDirect)
Web of Science
Scopus
JCR 저널정보
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6 . Academic Journal
Activation of C–H, C–C and C–I bonds by Pd and cis-Pd(CO)
2
I
2
. Catalyst–substrate adaptation
저자
by
Diefenbach, Axel
;
Bickelhaupt, F. Matthias
.
소스
Journal of Organometallic Chemistry
. Apr2005, Vol. 690 Issue 9, p2191-2199. 9p.
Full Text (ScienceDirect)
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4 . Academic Journal
Theoretical Studies of Inorganic Compounds. 19
1)
Quantum Chemical Investigations of the Phosphane Complexes X
3
B-PY
3
and X
3
Al-PY
3
(X = H, F, Cl; Y = F, Cl, Me, CN).
저자
by
Loschen, Christoph
;
Voigt, Katrin
;
Frunzke, Jan
;
Diefenbach, Axel
;
Diedenhofen, Michael
, et al.
소스
Zeitschrift für Anorganische und Allgemeine Chemie; 2002, Vol. 628 Issue 6, p1294-1304, 11p
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7 . Academic Journal
The Nature of the Transition Metal-Carbonyl Bond and the Question about the Valence Orbitals of...
저자
by
Diefenbach, Axel
;
Bickelhaupt, F. Matthias
.
소스
Journal of the American Chemical Society
. 07/12/2000, Vol. 122 Issue 27, p6449. 10p. 4 Diagrams, 4 Charts, 4 Graphs.
Full Text (ACS)
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4 . Academic Journal
Koordinationseigenschaften der isolobalen Phosphaniminatound Cyclopentadienyl-Liganden in TiCl
3
(NPH
3
), TiCl
3
Cp, ReO
3
(NPH
3
) und ReO
3
Cp.
저자
by
Diefenbach, Axel
;
Bickelhaupt, F. Matthias
.
소스
Zeitschrift für Anorganische und Allgemeine Chemie; 1999, Vol. 625 Issue 6, p892-900, 9p
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4 . Periodical
Theoretical Studies of Inorganic Compounds. 19 1)Quantum Chemical Investigations of the Phosphane Complexes X3B‐PY3and X3Al‐PY3(X = H, F, Cl; Y = F, Cl, Me, CN)
저자
by
Loschen, Christoph
;
Voigt, Katrin
;
Frunzke, Jan
;
Diefenbach, Axel
;
Diedenhofen, Michael
, et al.
소스
Zeitschrift für anorganische und allgemeine Chemie; June 2002, Vol. 628 Issue: 6 p1294-1304, 11p
Web of Science
Scopus
JCR 저널정보
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