| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Algebraic-diagrammatic construction propagator approach to molecular response properties
|
Trofimov, A.B.
|
|
2006
|
329 |
1-3 |
p. 1-10
10 p.
|
artikel
|
| 2 |
Analytically continued Fock space multi-reference coupled-cluster theory: Application to the shape resonance
|
Pal, Sourav
|
|
2006
|
329 |
1-3 |
p. 283-289
7 p.
|
artikel
|
| 3 |
A novel VU-MRCC formalism for the simultaneous treatment of strong relaxation and correlation effects with applications to electron affinity of neutral radicals
|
Jana, Debasis
|
|
2006
|
329 |
1-3 |
p. 290-306
17 p.
|
artikel
|
| 4 |
Applying the vibronic coupling model Hamiltonian to the photoelectron spectrum of cyclobutadiene
|
Saddique, S.
|
|
2006
|
329 |
1-3 |
p. 99-108
10 p.
|
artikel
|
| 5 |
A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers
|
Goll, Erich
|
|
2006
|
329 |
1-3 |
p. 276-282
7 p.
|
artikel
|
| 6 |
Avoiding self-repulsion in density functional description of biased molecular junctions
|
Baer, Roi
|
|
2006
|
329 |
1-3 |
p. 266-275
10 p.
|
artikel
|
| 7 |
Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm
|
Meyer, Hans-Dieter
|
|
2006
|
329 |
1-3 |
p. 179-192
14 p.
|
artikel
|
| 8 |
Classical description of the dynamics and time-resolved spectroscopy of nonadiabatic cis–trans photoisomerization
|
Uspenskiy, Igor
|
|
2006
|
329 |
1-3 |
p. 109-117
9 p.
|
artikel
|
| 9 |
Cleavage of thymine N3–H bonds by low-energy electrons attached to base π∗ orbitals
|
Théodore, Magali
|
|
2006
|
329 |
1-3 |
p. 139-147
9 p.
|
artikel
|
| 10 |
Collisional dissociation of salt-cluster dianions
|
Mirsaleh-Kohan, N.
|
|
2006
|
329 |
1-3 |
p. 239-245
7 p.
|
artikel
|
| 11 |
Debye–Hückel screening and fluctuations
|
Zhang, Li
|
|
2006
|
329 |
1-3 |
p. 338-342
5 p.
|
artikel
|
| 12 |
editorial board
|
|
|
2006
|
329 |
1-3 |
p. ii-
1 p.
|
artikel
|
| 13 |
Electron correlation and multimode dynamics in molecules (in honour of Lorenz S. Cederbaum)
|
Schirmer, J.
|
|
2006
|
329 |
1-3 |
p. ix-xi
nvt p.
|
artikel
|
| 14 |
Free tetra- and hexa-coordinated platinum-cyanide dianions, Pt ( CN ) 4 2 - and Pt ( CN ) 6 2 - : A combined photodetachment photoelectron spectroscopic and theoretical study
|
Wang, Xue-Bin
|
|
2006
|
329 |
1-3 |
p. 230-238
9 p.
|
artikel
|
| 15 |
How much double excitation character do the lowest excited states of linear polyenes have?
|
Starcke, Jan Hendrik
|
|
2006
|
329 |
1-3 |
p. 39-49
11 p.
|
artikel
|
| 16 |
Imaging molecular orbitals using photoionization
|
Santra, Robin
|
|
2006
|
329 |
1-3 |
p. 357-364
8 p.
|
artikel
|
| 17 |
IR photon enhanced dissociative electron attachment to SF6: Dependence on photon, vibrational, and electron energy
|
Braun, M.
|
|
2006
|
329 |
1-3 |
p. 148-162
15 p.
|
artikel
|
| 18 |
Local control theory applied to coupled electronic and nuclear motion
|
Gräfe, Stefanie
|
|
2006
|
329 |
1-3 |
p. 118-125
8 p.
|
artikel
|
| 19 |
Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
|
Bâldea, Ioan
|
|
2006
|
329 |
1-3 |
p. 65-75
11 p.
|
artikel
|
| 20 |
Multistate and multimode vibronic dynamics: The Jahn–Teller and pseudo-Jahn–Teller effects in the ethane radical cation
|
Kumar, R.R.
|
|
2006
|
329 |
1-3 |
p. 76-89
14 p.
|
artikel
|
| 21 |
On the integration of the multi-configurational time-dependent Hartree (MCTDH) equations of motion
|
Manthe, Uwe
|
|
2006
|
329 |
1-3 |
p. 168-178
11 p.
|
artikel
|
| 22 |
On the non-adiabatic dynamics of solvation: A molecular hydrodynamic formulation
|
Burghardt, Irene
|
|
2006
|
329 |
1-3 |
p. 343-356
14 p.
|
artikel
|
| 23 |
Quantum chemistry based inversion of experimental pump–probe spectra: Model simulations for CpMn(CO)3
|
Full, Jürgen
|
|
2006
|
329 |
1-3 |
p. 126-138
13 p.
|
artikel
|
| 24 |
Quantum theory of enhanced unimolecular reaction rates below the ergodicity threshold
|
Leitner, David M.
|
|
2006
|
329 |
1-3 |
p. 163-167
5 p.
|
artikel
|
| 25 |
Real-time observation of vibrational revival in the fastest molecular system
|
Rudenko, A.
|
|
2006
|
329 |
1-3 |
p. 193-202
10 p.
|
artikel
|
| 26 |
Reflection-free complex absorbing potential for electronic structure calculations: Feshbach type autoionization resonance of Helium
|
Sajeev, Y.
|
|
2006
|
329 |
1-3 |
p. 307-312
6 p.
|
artikel
|
| 27 |
Relativistic calculation of the SeH2 and TeH2 photoelectron spectra
|
Pernpointner, Markus
|
|
2006
|
329 |
1-3 |
p. 256-265
10 p.
|
artikel
|
| 28 |
Role of the recoil effect in two-center interference in X-ray photoionization
|
Ueda, K.
|
|
2006
|
329 |
1-3 |
p. 329-337
9 p.
|
artikel
|
| 29 |
Rovibrational dynamics of LiCs dimers in strong electric fields
|
González-Férez, R.
|
|
2006
|
329 |
1-3 |
p. 203-215
13 p.
|
artikel
|
| 30 |
Simulation of the photodetachment spectrum of the pyrrolide anion
|
Motzke, Andreas
|
|
2006
|
329 |
1-3 |
p. 50-64
15 p.
|
artikel
|
| 31 |
Small silicon–oxygen dianions in the gas phase
|
Sommerfeld, Thomas
|
|
2006
|
329 |
1-3 |
p. 216-221
6 p.
|
artikel
|
| 32 |
Sputtered gas-phase dianions detected by high-sensitivity mass spectrometry
|
Gnaser, Hubert
|
|
2006
|
329 |
1-3 |
p. 222-229
8 p.
|
artikel
|
| 33 |
Subject Index
|
|
|
2006
|
329 |
1-3 |
p. 365-370
6 p.
|
artikel
|
| 34 |
The calculation of molecular double ionization spectra by Green’s functions
|
Tarantelli, Francesco
|
|
2006
|
329 |
1-3 |
p. 11-21
11 p.
|
artikel
|
| 35 |
The efficiency of Interatomic Coulombic Decay in Ne clusters
|
Barth, S.
|
|
2006
|
329 |
1-3 |
p. 246-250
5 p.
|
artikel
|
| 36 |
Theoretical force-field model for blue-shifted hydrogen bonds with fluoromethanes
|
Kryachko, Eugene S.
|
|
2006
|
329 |
1-3 |
p. 313-328
16 p.
|
artikel
|
| 37 |
The spin–orbit coupling in the bond formation region of the electronic ground states of O 3 + , S 3 + and SO 2 +
|
Navizet, Isabelle
|
|
2006
|
329 |
1-3 |
p. 251-255
5 p.
|
artikel
|
| 38 |
Valence one-electron and shake-up ionisation bands of polycyclic aromatic hydrocarbons. IV. The dibenzanthracene species
|
Deleuze, Michael S.
|
|
2006
|
329 |
1-3 |
p. 22-38
17 p.
|
artikel
|
| 39 |
Vibronic coupling in square planar complexes of palladium(II) and platinum(II)
|
Lanthier, Etienne
|
|
2006
|
329 |
1-3 |
p. 90-98
9 p.
|
artikel
|
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