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31 . Periodical
Molecular Geometries and Vibrational Spectra of Phenol, Benzaldehyde, and Salicylaldehyde: Experimental versus Quantum Chemical Data
저자
by
Lampert, H.
;
Mikenda, W.
;
Karpfen, A.
.
소스
The Journal of Physical Chemistry - Part A; March 20, 1997, Vol. 101 Issue: 12 p2254-2263, 10p
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35 . Periodical
Abinitio study of structure and vibrational spectra of SN+, SN, and S2N2
저자
by
Karpfen, A.
;
Schuster, P.
;
Petkov, J.
;
Lischka, H.
.
소스
Journal of Chemical Physics; April 1978, Vol. 68 Issue: 8 p3884-3890, 7p
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36 . Periodical
Geometry relaxation effects in the 1 1Buand 2 1Agstates of trans-1,3-butadiene
저자
by
Szalay, P.G.
;
Karpfen, A.
;
Lischka, H.
.
소스
Chemical Physics; February 1989, Vol. 130 Issue: 1-3 p219-228, 10p
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35 . Periodical
NMR Shieldings in Benzoyl and 2-Hydroxybenzoyl Compounds. Experimental versus GIAO Calculated Data
저자
by
Lampert, H.
;
Mikenda, W.
;
Karpfen, A.
;
Kahlig, H.
.
소스
The Journal of Physical Chemistry - Part A; December 11, 1997, Vol. 101 Issue: 50 p9610-9617, 8p
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36 . Periodical
Single-Bond Torsional Potentials in Conjugated Systems: A Comparison of ab Initio and Density Functional Results
저자
by
Karpfen, A.
;
Choi, C. H.
;
Kertesz, M.
.
소스
The Journal of Physical Chemistry - Part A; October 2, 1997, Vol. 101 Issue: 40 p7426-7433, 8p
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35 . Periodical
Limitations of current density functional theories for the description of partial p-bond breaking
저자
by
Choi, Cheol Ho
;
Kertesz, M.
;
Karpfen, A.
.
소스
Chemical Physics Letters; 1997, Vol. 276 Issue: 3 p266-268, 3p
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35 . Academic Journal
Diazene, a Potential New Hydrogen Bond Donor and Acceptor with Blue-Shifted N-H Stretching Modes: A Theoretical Study
저자
by
Karpfen, A.
;
Liedl, E.
;
Wolschann, P.
.
소스
POLISH JOURNAL OF CHEMISTRY
; MAY 2009, 83 5, p933-p942, 10p.
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35 . Academic Journal
Blue and Red Frequency Shift Effects Related with XA-H center dot center dot center dot B-Y Complex Formation
저자
by
Rutkowski, K. S.
;
Karpfen, A.
;
Melikova, S. M.
;
Rodziewicz, P.
.
소스
POLISH JOURNAL OF CHEMISTRY
; MAY 2009, 83 5, p965-p980, 16p.
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36 . Academic Journal
Investigation of the electronic structure of the TCNQ-TTF system: II. All-valence-electron band structures of infinite TCNQ and TTF chains
저자
by
Karpfen, A.
;
Ladik, J.
;
Stollhoff, G.
;
Fulde, P.
.
소스
In
Chemical Physics
1975 8(1):215-222
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36 . Academic Journal
Investigation of the electronic structure of the TCNQ-TTF system. I. TCNQ and TTF monomers and dimers in the all-valence-electron approximation
저자
by
Ladik, J.
;
Karpfen, A.
;
Stollhoff, G.
;
Fulde, P.
.
소스
In
Chemical Physics
1975 7(2):267-277
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