| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio and matrix isolation study of the acetylene–furan dimer
|
Sánchez-García, Elsa
|
|
2008
|
343 |
2-3 |
p. 168-185
18 p.
|
artikel
|
| 2 |
Ab initio configuration interaction description of excitation energy transfer between closely packed molecules
|
Fink, R.F.
|
|
2008
|
343 |
2-3 |
p. 353-361
9 p.
|
artikel
|
| 3 |
Ab initio MRD-CI study of excited states of formyl chloride HClCO and photofragmentation along Cl–C cleavage
|
Mühlhäuser, Max
|
|
2008
|
343 |
2-3 |
p. 311-318
8 p.
|
artikel
|
| 4 |
Absorption properties of cationic silver cluster–tryptophan complexes: A model for photoabsorption and photoemission enhancement in nanoparticle–biomolecule systems
|
Mitrić, Roland
|
|
2008
|
343 |
2-3 |
p. 372-380
9 p.
|
artikel
|
| 5 |
A comparative study of single reference correlation methods of the coupled-pair type
|
Wennmohs, Frank
|
|
2008
|
343 |
2-3 |
p. 217-230
14 p.
|
artikel
|
| 6 |
All-electron Douglas–Kroll–Hess and pseudopotential study on the low-lying states of uranium hydride UH
|
Cao, Xiaoyan
|
|
2008
|
343 |
2-3 |
p. 250-257
8 p.
|
artikel
|
| 7 |
A study of the threshold behavior in e− +HF scattering based on R-matrix theory
|
Nestmann, Bernd M.
|
|
2008
|
343 |
2-3 |
p. 281-291
11 p.
|
artikel
|
| 8 |
A theoretical and experimental study of the double photoionisation of molecular bromine and a new double ionisation mechanism
|
Fleig, Timo
|
|
2008
|
343 |
2-3 |
p. 270-280
11 p.
|
artikel
|
| 9 |
A theoretical study of the binding and electronic spectrum of the Mo2 molecule
|
Borin, Antonio Carlos
|
|
2008
|
343 |
2-3 |
p. 210-216
7 p.
|
artikel
|
| 10 |
Conical intersections and strong nonadiabatic coupling effects in singlet-excited acetylene: An ab initio quantum dynamical study
|
Köppel, Horst
|
|
2008
|
343 |
2-3 |
p. 319-328
10 p.
|
artikel
|
| 11 |
DFT and MRCI studies on ground and excited states of CrO2
|
Grein, Friedrich
|
|
2008
|
343 |
2-3 |
p. 231-240
10 p.
|
artikel
|
| 12 |
Equilibrium structure and energetics of CHNO isomers: Steps towards ab initio rovibrational spectra of quasi-linear molecules
|
Mladenović, Mirjana
|
|
2008
|
343 |
2-3 |
p. 129-140
12 p.
|
artikel
|
| 13 |
Excited state dynamics in pyrrole–water clusters: First-principles simulation
|
Frank, Irmgard
|
|
2008
|
343 |
2-3 |
p. 347-352
6 p.
|
artikel
|
| 14 |
High resolution IR spectroscopy of the carbonyl stretch of (DCOOD)2
|
Gutberlet, A.
|
|
2008
|
343 |
2-3 |
p. 158-167
10 p.
|
artikel
|
| 15 |
IFC
|
|
|
2008
|
343 |
2-3 |
p. IFC-
1 p.
|
artikel
|
| 16 |
Importance of backbone angles versus amino acid configurations in peptide vibrational Raman optical activity spectra
|
Herrmann, Carmen
|
|
2008
|
343 |
2-3 |
p. 200-209
10 p.
|
artikel
|
| 17 |
Metal (Ti, Zr, Hf) insertion in the C–H bond of methane: Manifestation of an agostic interaction
|
Berkaı¨ne, N.
|
|
2008
|
343 |
2-3 |
p. 241-249
9 p.
|
artikel
|
| 18 |
Photodissociation of OBrO through the excited 22 A″(12 A 2) electronic state: Theoretical prediction of the absorption cross-section
|
Vetter, Reinhard
|
|
2008
|
343 |
2-3 |
p. 303-310
8 p.
|
artikel
|
| 19 |
Photodissociation of small carbonaceous molecules of astrophysical interest
|
van Hemert, M.C.
|
|
2008
|
343 |
2-3 |
p. 292-302
11 p.
|
artikel
|
| 20 |
Renner–Teller effect in five-atomic molecules: Ab initio investigation of the spectrum of C 5 -
|
Perić, Miljenko
|
|
2008
|
343 |
2-3 |
p. 141-157
17 p.
|
artikel
|
| 21 |
Subject Index
|
|
|
2008
|
343 |
2-3 |
p. 381-386
6 p.
|
artikel
|
| 22 |
The g-tensor of AlO: Principal problems and first approaches
|
Gilka, N.
|
|
2008
|
343 |
2-3 |
p. 258-269
12 p.
|
artikel
|
| 23 |
The interplay of wave packet dephasing, optimization efficiency, and target state population in optimally controlled isotope selective photoionization
|
Schäfer-Bung, Boris
|
|
2008
|
343 |
2-3 |
p. 340-346
7 p.
|
artikel
|
| 24 |
Theoretical energetic and vibrational analysis of amide-templated pseudorotaxanes
|
Reckien, Werner
|
|
2008
|
343 |
2-3 |
p. 186-199
14 p.
|
artikel
|
| 25 |
Theoretical spectroscopy and its impact on experiment
|
Marian, C.M.
|
|
2008
|
343 |
2-3 |
p. vii-ix
nvt p.
|
artikel
|
| 26 |
Three-dimensional intramolecular dynamics: Internal rotation of (CH3)3GeBr
|
Schnell, Melanie
|
|
2008
|
343 |
2-3 |
p. 121-128
8 p.
|
artikel
|
| 27 |
Time-dependent density functional study of excimers and exciplexes of organic molecules
|
Huenerbein, Robert
|
|
2008
|
343 |
2-3 |
p. 362-371
10 p.
|
artikel
|
| 28 |
Ultrafast dissociation pathways of diphenylmethyl chloride to generate reactive carbo cations
|
Fingerhut, Benjamin P.
|
|
2008
|
343 |
2-3 |
p. 329-339
11 p.
|
artikel
|
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