| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio direct dynamics studies on the hydrogen abstraction reactions of CF2H2 and CF3H with F atom
|
Wang, Li
|
|
2008
|
351 |
1-3 |
p. 154-158
5 p.
|
artikel
|
| 2 |
Ab initio electronic and rovibrational structure of MgH 2 2 +
|
Page, Alister J.
|
|
2008
|
351 |
1-3 |
p. 37-45
9 p.
|
artikel
|
| 3 |
Approximate switching algorithms for trajectory surface hopping
|
Fabiano, E.
|
|
2008
|
351 |
1-3 |
p. 111-116
6 p.
|
artikel
|
| 4 |
Asymmetric rotor-like probes to polarized fluorescence study of the macroscopically oriented uniaxial media: Model parameters recognition
|
Buczkowski, M.
|
|
2008
|
351 |
1-3 |
p. 129-135
7 p.
|
artikel
|
| 5 |
A theoretical study on structural and electronic properties of Zr-doped B clusters: ZrB n (n =1–12)
|
Yao, Jian-Gang
|
|
2008
|
351 |
1-3 |
p. 1-6
6 p.
|
artikel
|
| 6 |
Coordination of niobium and tantalum oxides by Ar, Xe and O2: Matrix isolation infrared spectroscopic and theoretical study of NbO2(Ng)2 (Ng=Ar, Xe) and MO4(X) (M=Nb, Ta; X=Ar, Xe, O2) in solid argon
|
Zhao, Yanying
|
|
2008
|
351 |
1-3 |
p. 13-18
6 p.
|
artikel
|
| 7 |
Direct quantum mechanical calculation of the F+H2 →HF+H thermal rate constant
|
Moix, Marc
|
|
2008
|
351 |
1-3 |
p. 65-71
7 p.
|
artikel
|
| 8 |
Double quantum CRAZED NMR signal in inhomogeneous fields
|
Jiang, Bin
|
|
2008
|
351 |
1-3 |
p. 33-36
4 p.
|
artikel
|
| 9 |
Erratum to “New sources and instrumentation for neutrons in biology” [Chem. Phys. 345 (2008) 133–151]
|
Teixeira, S.C.M.
|
|
2008
|
351 |
1-3 |
p. 170-
1 p.
|
artikel
|
| 10 |
Excited state corrections to looped adiabatic-to-diabatic transformation phases
|
Bene, E.
|
|
2008
|
351 |
1-3 |
p. 136-140
5 p.
|
artikel
|
| 11 |
First-principles study of hydrogen adsorption on Mo(110)
|
Zhou, Y.G.
|
|
2008
|
351 |
1-3 |
p. 19-26
8 p.
|
artikel
|
| 12 |
Ground state isomerism in betacarboline hydrogen bond complexes: The charge transfer nature of its large Stokes shifted emission
|
Sánchez-Coronilla, Antonio
|
|
2008
|
351 |
1-3 |
p. 27-32
6 p.
|
artikel
|
| 13 |
Higher order phase corrected transition amplitudes for time dependent semiclassical surface hopping calculations
|
Herman, Michael F.
|
|
2008
|
351 |
1-3 |
p. 51-56
6 p.
|
artikel
|
| 14 |
Hydrogen adsorption strength and sites in the metal organic framework MOF5: Comparing experiment and model calculations
|
Mulder, F.M.
|
|
2008
|
351 |
1-3 |
p. 72-76
5 p.
|
artikel
|
| 15 |
Hydrogen bond interactions in sulfamerazine: DFT study of the O-17, N-14, and H-2 electric field gradient tensors
|
Aghazadeh, Mustafa
|
|
2008
|
351 |
1-3 |
p. 159-162
4 p.
|
artikel
|
| 16 |
IFC (Editorial Board)
|
|
|
2008
|
351 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 17 |
Kinetics of the R+HBr⇄RH+Br (CH3CHBr, CHBr2 or CDBr2) equilibrium. Thermochemistry of the CH3CHBr and CHBr2 radicals
|
Seetula, Jorma A.
|
|
2008
|
351 |
1-3 |
p. 141-146
6 p.
|
artikel
|
| 18 |
Mixed quantum classical simulations of electronic excitation energy transfer: The pheophorbide-a DAB dendrimer P 4 in solution
|
Zhu, Hui
|
|
2008
|
351 |
1-3 |
p. 117-128
12 p.
|
artikel
|
| 19 |
Multicoordinational excited state twisting of indan-1,3-dione derivatives
|
Karpicz, Renata
|
|
2008
|
351 |
1-3 |
p. 147-153
7 p.
|
artikel
|
| 20 |
193nm photolysis of CHCl3: Probe of the CH product by CRDS
|
Romanzin, Claire
|
|
2008
|
351 |
1-3 |
p. 77-82
6 p.
|
artikel
|
| 21 |
Non-Gaussian statistics of binding/unbinding events and the energetics of electron transfer reactions
|
Matyushov, Dmitry V.
|
|
2008
|
351 |
1-3 |
p. 46-50
5 p.
|
artikel
|
| 22 |
O–O2 state-to-state vibrational relaxation and dissociation rates based on quasiclassical calculations
|
Esposito, Fabrizio
|
|
2008
|
351 |
1-3 |
p. 91-98
8 p.
|
artikel
|
| 23 |
Oxidation of cinnamic acid derivatives: A pulse radiolysis and theoretical study
|
Yadav, Pooja
|
|
2008
|
351 |
1-3 |
p. 57-64
8 p.
|
artikel
|
| 24 |
Relativistic and non-relativistic local-density functional, benchmark results and investigation on the dimers Cu 2 , Ag 2 , Au 2 , Rg 2
|
Kullie, O.
|
|
2008
|
351 |
1-3 |
p. 106-110
5 p.
|
artikel
|
| 25 |
Short-time maximum entropy method analysis of molecular dynamics simulation: Unimolecular decomposition of formic acid
|
Takahashi, Osamu
|
|
2008
|
351 |
1-3 |
p. 7-12
6 p.
|
artikel
|
| 26 |
Structural role of hydrogen bond networks in amino acid–acid systems. (I) The network with highly polarizable OHO hydrogen bonds in sarcosine–methanesulfonic acid (2:1) crystal
|
Ilczyszyn, Marek
|
|
2008
|
351 |
1-3 |
p. 99-105
7 p.
|
artikel
|
| 27 |
Studies on the interaction of diacetylcurcumin with calf thymus-DNA
|
Sahoo, Bijaya Ketan
|
|
2008
|
351 |
1-3 |
p. 163-169
7 p.
|
artikel
|
| 28 |
Subject Index
|
|
|
2008
|
351 |
1-3 |
p. 171-175
5 p.
|
artikel
|
| 29 |
Theoretical study of 14N quadrupole coupling constants in some NO-containing complexes: N2O3 and FNO
|
Polák, R.
|
|
2008
|
351 |
1-3 |
p. 83-90
8 p.
|
artikel
|
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