| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio-based potential energy surfaces and predicted microwave spectra of the Ar–I 2(X1Σg +) Van der Waals complex
|
Naumkin, F.Y.
|
|
1998
|
294 |
1-3 |
p. 71-78
8 p.
|
artikel
|
| 2 |
A CASSCF/ACPF study of spectroscopic properties of FeS and FeS− and the photoelectron spectrum of FeS−
|
Hübner, Olaf
|
|
1998
|
294 |
1-3 |
p. 37-44
8 p.
|
artikel
|
| 3 |
A theoretical analysis on the intramolecular proton transfer of α-alanine in an aqueous medium
|
Sambrano, J.R.
|
|
1998
|
294 |
1-3 |
p. 1-8
8 p.
|
artikel
|
| 4 |
A Wannier-function-based ab initio Hartree–Fock study of polyethylene
|
Shukla, Alok
|
|
1998
|
294 |
1-3 |
p. 126-134
9 p.
|
artikel
|
| 5 |
A wavepacket analysis of the statistical behaviour of molecules that penetrate a slit-shaped micropore
|
Takahashi, H.
|
|
1998
|
294 |
1-3 |
p. 95-102
8 p.
|
artikel
|
| 6 |
Basis-set extrapolation
|
Truhlar, Donald G.
|
|
1998
|
294 |
1-3 |
p. 45-48
4 p.
|
artikel
|
| 7 |
Binding energies and structures of C+Ar n (n=1–5), clusters from first principles
|
Froudakis, G.E.
|
|
1998
|
294 |
1-3 |
p. 109-116
8 p.
|
artikel
|
| 8 |
Blocking of bridge-mediated electron transfer by an external magnetic field
|
Petrov, E.G.
|
|
1998
|
294 |
1-3 |
p. 19-25
7 p.
|
artikel
|
| 9 |
C2 fragmentation energy of C60 revisited: theory disagrees with most experiments
|
Boese, A.Daniel
|
|
1998
|
294 |
1-3 |
p. 233-236
4 p.
|
artikel
|
| 10 |
Effects of the protein electrostatic environment on the absorption maximum of bacteriorhodopsin
|
Houjou, H
|
|
1998
|
294 |
1-3 |
p. 162-166
5 p.
|
artikel
|
| 11 |
Electrochemical instability of Ag/Sb co-deposition coupled with a magnetohydrodynamic flow
|
Nakabayashi, S.
|
|
1998
|
294 |
1-3 |
p. 204-208
5 p.
|
artikel
|
| 12 |
Erratum
|
|
|
1998
|
294 |
1-3 |
p. 262-
1 p.
|
artikel
|
| 13 |
First intramolecular charge resonance band observed at room temperature in solution by steady photolysis of 1,3-bis(4-(4-nitrostyryl)pyridinium)propane tetraphenylborate
|
Nagamura, Toshihiko
|
|
1998
|
294 |
1-3 |
p. 167-172
6 p.
|
artikel
|
| 14 |
Formation of molecular iodine in high-energy four-center CH3I+CH3I collisions
|
Kornweitz, Haya
|
|
1998
|
294 |
1-3 |
p. 153-161
9 p.
|
artikel
|
| 15 |
Förster energy transfer from tryptophan to flavin in glucose oxidase enzyme
|
Haouz, Ahmed
|
|
1998
|
294 |
1-3 |
p. 197-203
7 p.
|
artikel
|
| 16 |
Incoherent control of protein conformational state
|
Agmon, Noam
|
|
1998
|
294 |
1-3 |
p. 79-86
8 p.
|
artikel
|
| 17 |
Infrared active phonons in single-walled carbon nanotubes
|
Kuhlmann, U.
|
|
1998
|
294 |
1-3 |
p. 237-240
4 p.
|
artikel
|
| 18 |
Intramolecular isotope effects in the bond-forming reaction of CF2 2+ with HD
|
Newson, Karl A.
|
|
1998
|
294 |
1-3 |
p. 223-228
6 p.
|
artikel
|
| 19 |
Local structural heterogeneities in liquid water under pressure
|
Canpolat, Murat
|
|
1998
|
294 |
1-3 |
p. 9-12
4 p.
|
artikel
|
| 20 |
Molecular mechanism for oxygenation pathway in Rubisco.
|
Oliva, M.
|
|
1998
|
294 |
1-3 |
p. 87-94
8 p.
|
artikel
|
| 21 |
On the geometric phase effect on tetra-atomic reactions: the OH+H2→H2O+H reaction
|
Billing, Gert D.
|
|
1998
|
294 |
1-3 |
p. 26-30
5 p.
|
artikel
|
| 22 |
Partitioning of the total reorganization energy into its vibrational and solvent (inertial and reorientational) contributions using resonance Raman intensities
|
Biswas, Nandita
|
|
1998
|
294 |
1-3 |
p. 181-190
10 p.
|
artikel
|
| 23 |
Pulsed and cw-time-resolved EPR studies of photoinduced electron transfer between zinc(II) porphyrin and fullerene
|
Fujisawa, Jun-ichi
|
|
1998
|
294 |
1-3 |
p. 248-254
7 p.
|
artikel
|
| 24 |
Resonance in formamide: resolution of contending models
|
Basch, Harold
|
|
1998
|
294 |
1-3 |
p. 117-125
9 p.
|
artikel
|
| 25 |
RI-MP2: optimized auxiliary basis sets and demonstration of efficiency
|
Weigend, Florian
|
|
1998
|
294 |
1-3 |
p. 143-152
10 p.
|
artikel
|
| 26 |
Room temperature manipulation of self-organised supramolecular nanostructures with a scanning tunnelling microscope
|
Thomas, P.J.
|
|
1998
|
294 |
1-3 |
p. 229-232
4 p.
|
artikel
|
| 27 |
Second-harmonic spectroscopy of fullerenes
|
Kuhnke, Klaus
|
|
1998
|
294 |
1-3 |
p. 241-247
7 p.
|
artikel
|
| 28 |
Simulation studies for liquid phenol: properties evaluated and tested over a range of temperatures
|
Mooney, D.A.
|
|
1998
|
294 |
1-3 |
p. 135-142
8 p.
|
artikel
|
| 29 |
Soft X-ray absorption study of (Nd1.05−x Pr x )Ba1.95Cu3O7 using synchrotron radiation
|
Chen, J.M.
|
|
1998
|
294 |
1-3 |
p. 209-216
8 p.
|
artikel
|
| 30 |
Structure and vibrations of catechol in the S1 state and ionic ground state
|
Gerhards, M.
|
|
1998
|
294 |
1-3 |
p. 65-70
6 p.
|
artikel
|
| 31 |
Study of infinite polyacetylene from a Heisenberg Hamiltonian: dimerization and lowest excitation energies
|
Miguel, Beatriz
|
|
1998
|
294 |
1-3 |
p. 49-55
7 p.
|
artikel
|
| 32 |
The dielectric response of water in high electric fields: equilibrium water thickness and the field distribution
|
Scovell, Dawn L.
|
|
1998
|
294 |
1-3 |
p. 255-261
7 p.
|
artikel
|
| 33 |
The Longuet-Higgins phase and charge transport in molecular rings
|
Avron, J.E.
|
|
1998
|
294 |
1-3 |
p. 13-18
6 p.
|
artikel
|
| 34 |
Time-dependent approach to high-resolution spectroscopy: application to the photoabsorption spectrum of classically chaotic hydrogen atoms in magnetic fields
|
Chu, Shih-I
|
|
1998
|
294 |
1-3 |
p. 31-36
6 p.
|
artikel
|
| 35 |
Unusual structure in a quasi-two-dimensional binary colloid fluid
|
Chung-Ming Tam, Michelle
|
|
1998
|
294 |
1-3 |
p. 217-222
6 p.
|
artikel
|
| 36 |
Vibrational analysis of glycine zwitterion – an ab initio study
|
Chakraborty, D.
|
|
1998
|
294 |
1-3 |
p. 56-64
9 p.
|
artikel
|
| 37 |
Vibrationally mediated photodissociation of HCN
|
Bucher, Christine R.
|
|
1998
|
294 |
1-3 |
p. 173-180
8 p.
|
artikel
|
| 38 |
Vibrational modes of isolated hydroxyls of silica computed ab initio in a cluster approach
|
Civalleri, B.
|
|
1998
|
294 |
1-3 |
p. 103-108
6 p.
|
artikel
|
| 39 |
Vibrational relaxation and energy transfer in the hydrogen system at temperatures between 110 and 300K
|
Schneider-Kühnle, Y.
|
|
1998
|
294 |
1-3 |
p. 191-196
6 p.
|
artikel
|
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