nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio study of intramolecular proton transfer reactions in cytosine
|
Morpurgo, Simone |
|
1997 |
280 |
3-4 |
p. 233-238 6 p. |
artikel |
2 |
An ab initio study concerning the experimental observability of C3H6 2+ isomers
|
Mayer, Paul M. |
|
1997 |
280 |
3-4 |
p. 244-250 7 p. |
artikel |
3 |
An ab initio study of geometries, polarizabilities, and rotation barriers of polyphenylsilane oligomers
|
Ortiz, J.V. |
|
1997 |
280 |
3-4 |
p. 239-243 5 p. |
artikel |
4 |
An MO study of neutral C8 high-symmetry clusters
|
Nyrönen, Tommi H |
|
1997 |
280 |
3-4 |
p. 227-232 6 p. |
artikel |
5 |
Anomalous temperature dependence of the IR spectrum of polyalanine
|
Helenius, V. |
|
1997 |
280 |
3-4 |
p. 325-332 8 p. |
artikel |
6 |
Application of trajectory surface hopping to vibrational predissociation
|
Bastida, A. |
|
1997 |
280 |
3-4 |
p. 185-188 4 p. |
artikel |
7 |
Complexation of small organic molecules by Cu+
|
Hoyau, Sophie |
|
1997 |
280 |
3-4 |
p. 266-272 7 p. |
artikel |
8 |
Computational study of the (CH3Zn)2B3H7 and CH3ZnBH4 dimers
|
McKee, Michael L |
|
1997 |
280 |
3-4 |
p. 273-279 7 p. |
artikel |
9 |
Consequences for finite electronic systems of homogeneity properties of density-functional energy components
|
Parr, Robert G. |
|
1997 |
280 |
3-4 |
p. 159-166 8 p. |
artikel |
10 |
Dynamic polarizability and hyperpolarizability for the 14 electron molecules CO and BF
|
Mérawa, Mohammadou |
|
1997 |
280 |
3-4 |
p. 203-211 9 p. |
artikel |
11 |
Electronic states and potential energy curves of iridium carbide (IrC)
|
Tan, Hang |
|
1997 |
280 |
3-4 |
p. 219-226 8 p. |
artikel |
12 |
Electronic states of Ta2C+
|
Majumdar, D. |
|
1997 |
280 |
3-4 |
p. 212-218 7 p. |
artikel |
13 |
Femtosecond time-resolved four-wave mixing spectroscopy in iodine vapour
|
Schmitt, M. |
|
1997 |
280 |
3-4 |
p. 339-347 9 p. |
artikel |
14 |
High-pressure studies of second harmonic generation in organic materials
|
Yang, G |
|
1997 |
280 |
3-4 |
p. 375-380 6 p. |
artikel |
15 |
Hybrid quantum and classical mechanical Monte Carlo simulations of the interaction of hydrogen chloride with solid water clusters
|
Estrin, Darı́o A |
|
1997 |
280 |
3-4 |
p. 280-286 7 p. |
artikel |
16 |
Imaging of individual formate ions adsorbed on TiO2(110) surface by non-contact atomic force microscopy
|
Fukui, Ken-ichi |
|
1997 |
280 |
3-4 |
p. 296-301 6 p. |
artikel |
17 |
Kinetic isotope effect in hydrogen abstraction from 2-propanol by hydrogen and deuterium radicals. A pulse radiolysis Fourier transform electron spin resonance study
|
Geimer, J. |
|
1997 |
280 |
3-4 |
p. 353-358 6 p. |
artikel |
18 |
On the hydrogen bonding abilities of phenols and anisoles
|
Nobeli, I |
|
1997 |
280 |
3-4 |
p. 196-202 7 p. |
artikel |
19 |
Photoabsorption and photofragmentation studies of acetyloxy iodide anion CH3CO2I−
|
Saeki, Morihisa |
|
1997 |
280 |
3-4 |
p. 348-352 5 p. |
artikel |
20 |
Photoionization and dissociation of BF3·((CH3)2O) n mixed aggregates (n=1, 2) studied by mass spectrometry and ab initio calculations
|
Ring, S. |
|
1997 |
280 |
3-4 |
p. 251-259 9 p. |
artikel |
21 |
Photophysical investigation on molecular aggregation of 1-benzyl-2-hydro[60]fullerene in Langmuir–Blodgett multilayers
|
Ma, Shihong |
|
1997 |
280 |
3-4 |
p. 308-314 7 p. |
artikel |
22 |
Quenching of pyrene fluorescence by fullerene C60 in Langmuir–Blodgett films
|
Sluch, M.I. |
|
1997 |
280 |
3-4 |
p. 315-320 6 p. |
artikel |
23 |
Relative stabilities of ortho-, meta- and para-tolyl cations
|
Shin, Seung Koo |
|
1997 |
280 |
3-4 |
p. 260-265 6 p. |
artikel |
24 |
Second-order multiconfigurational Dirac–Fock self-consistent field and multireference configuration interaction calculations on beryllium and beryllium-like Ne6+
|
Vilkas, Marius J. |
|
1997 |
280 |
3-4 |
p. 167-176 10 p. |
artikel |
25 |
Spectroscopic properties of Gd3+-doped fluorozirconate glass
|
Binnemans, K. |
|
1997 |
280 |
3-4 |
p. 333-338 6 p. |
artikel |
26 |
Structural and electron transfer properties of cytochrome c adsorbed on graphite electrode studied by in situ tapping mode AFM
|
Boussaad, S |
|
1997 |
280 |
3-4 |
p. 397-403 7 p. |
artikel |
27 |
Structure and hydrogen-bonding interactions in jet-cooled tropolone–acetone
|
Hamabe, Hidenori |
|
1997 |
280 |
3-4 |
p. 390-396 7 p. |
artikel |
28 |
Study on iron–sulfur cluster in gas phase: electronic structure and reactivity
|
Nakajima, Atsushi |
|
1997 |
280 |
3-4 |
p. 381-389 9 p. |
artikel |
29 |
The appearance of athermal nuclei of thymine at Au(111) and the shape of current–time transients
|
Donner, C. |
|
1997 |
280 |
3-4 |
p. 287-295 9 p. |
artikel |
30 |
The application of a genetic algorithm for solving crystal structures from powder diffraction data
|
Kariuki, Benson M. |
|
1997 |
280 |
3-4 |
p. 189-195 7 p. |
artikel |
31 |
The influence of the attractive well on near-resonant vibrational energy transfer in the gas phase: the importance of third body collisions
|
Reid, J.P |
|
1997 |
280 |
3-4 |
p. 367-374 8 p. |
artikel |
32 |
The surface chemistry of 1,3-cyclohexadiene and 1,4-cyclohexadiene on Pt(111) studied by surface vibrational spectroscopy with sum frequency generation
|
Su, Xingcai |
|
1997 |
280 |
3-4 |
p. 302-307 6 p. |
artikel |
33 |
The vibrational deactivation of N2(v=1) by H2 and HD at low temperatures
|
Reid, J.P |
|
1997 |
280 |
3-4 |
p. 359-366 8 p. |
artikel |
34 |
Three pulse echo peak shift measurements on the B820 subunit of LH1 of Rhodospirillum rubrum
|
Yu, Jae-Young |
|
1997 |
280 |
3-4 |
p. 404-410 7 p. |
artikel |
35 |
Vacuum ultraviolet excited luminescence of Ag+ impurities in KMgF3
|
Scacco, A |
|
1997 |
280 |
3-4 |
p. 321-324 4 p. |
artikel |
36 |
Vibrationally resolved spectra from short-time quantum molecular dynamics by the filter-diagonalization method
|
Jungwirth, Pavel |
|
1997 |
280 |
3-4 |
p. 177-184 8 p. |
artikel |