| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Analytical gradient for geometry optimizations of ( H 2 O ) n - clusters as described by the PM1 polarizable model
|
Choi, Tae Hoon
|
|
2008
|
464 |
4-6 |
p. 139-143
5 p.
|
artikel
|
| 2 |
A quantum chemical method for calculating vibrational line shifts in diatomic fluids
|
Coe, Joshua D.
|
|
2008
|
464 |
4-6 |
p. 265-270
6 p.
|
artikel
|
| 3 |
A refined ring polymer contraction scheme for systems with electrostatic interactions
|
Markland, Thomas E.
|
|
2008
|
464 |
4-6 |
p. 256-261
6 p.
|
artikel
|
| 4 |
A search for ligand diffusion pathway in myoglobin using a metadynamics simulation
|
Nishihara, Yasutaka
|
|
2008
|
464 |
4-6 |
p. 220-225
6 p.
|
artikel
|
| 5 |
Author Index
|
|
|
2008
|
464 |
4-6 |
p. 276-280
5 p.
|
artikel
|
| 6 |
Computational complexity in quantum chemistry
|
Rassolov, Vitaly A.
|
|
2008
|
464 |
4-6 |
p. 262-264
3 p.
|
artikel
|
| 7 |
Contents
|
|
|
2008
|
464 |
4-6 |
p. iii-x
nvt p.
|
artikel
|
| 8 |
Editorial Board
|
|
|
2008
|
464 |
4-6 |
p. IFC-
1 p.
|
artikel
|
| 9 |
Electronic properties and stability of graphene nanoribbons: An interpretation based on Clar sextet theory
|
Baldoni, Matteo
|
|
2008
|
464 |
4-6 |
p. 202-207
6 p.
|
artikel
|
| 10 |
Femtosecond nonlinear optical properties of alkoxy phthalocyanines at 800nm studied using Z-Scan technique
|
Venkatram, N.
|
|
2008
|
464 |
4-6 |
p. 211-215
5 p.
|
artikel
|
| 11 |
Full dimensional quantum versus semiclassical reactivity for the bent transition state reaction N+N2
|
Faginas, Noelia
|
|
2008
|
464 |
4-6 |
p. 249-255
7 p.
|
artikel
|
| 12 |
Interactions of laminin peptides with phospholipids in Langmuir films and vesicles
|
Dhathathreyan, Aruna
|
|
2008
|
464 |
4-6 |
p. 226-229
4 p.
|
artikel
|
| 13 |
Irreducible spherical tensor analysis of quadrupolar nuclei
|
Chandra Shekar, S.
|
|
2008
|
464 |
4-6 |
p. 235-239
5 p.
|
artikel
|
| 14 |
Molecular dynamics simulation of metal coating on single-walled carbon nanotube
|
Inoue, Shuhei
|
|
2008
|
464 |
4-6 |
p. 160-165
6 p.
|
artikel
|
| 15 |
Origin of the fast relaxation component of water and heavy water revealed by terahertz time-domain attenuated total reflection spectroscopy
|
Yada, Hiroyuki
|
|
2008
|
464 |
4-6 |
p. 166-170
5 p.
|
artikel
|
| 16 |
Picosecond dynamics of gas-phase dimers in liquid carbon dioxide
|
Guarini, E.
|
|
2008
|
464 |
4-6 |
p. 177-180
4 p.
|
artikel
|
| 17 |
Predictive electronic and vibrational many-body methods for molecules and macromolecules
|
Hirata, So
|
|
2008
|
464 |
4-6 |
p. 123-134
12 p.
|
artikel
|
| 18 |
Proton transport catalysis in intramolecular rearrangements: A density functional theory study
|
Campodónico, Paola R.
|
|
2008
|
464 |
4-6 |
p. 271-275
5 p.
|
artikel
|
| 19 |
QM/MM lineshape simulation of the hydrogen-bonded uracil NH stretching vibration of the adenine:uracil base pair in CDCl 3
|
Yan, Yun-an
|
|
2008
|
464 |
4-6 |
p. 230-234
5 p.
|
artikel
|
| 20 |
Room temperature ferromagnetism in thiol-capped CdSe and CdSe:Cu nanoparticles
|
Singh, Shashi B.
|
|
2008
|
464 |
4-6 |
p. 208-210
3 p.
|
artikel
|
| 21 |
Silver island nanodeposits to enhance surface plasmon coupled fluorescence from copper thin films
|
Aslan, Kadir
|
|
2008
|
464 |
4-6 |
p. 216-219
4 p.
|
artikel
|
| 22 |
Spectroscopic and photophysical properties of salicylaldehyde azine (SAA) as a photochromic Schiff base suitable for heterogeneous studies
|
Ziółek, Marcin
|
|
2008
|
464 |
4-6 |
p. 181-186
6 p.
|
artikel
|
| 23 |
Spin contamination in XOO radicals X=F, Cl, Br, HO: How is the investigation of the HOOO radical affected
|
Denis, Pablo A.
|
|
2008
|
464 |
4-6 |
p. 150-154
5 p.
|
artikel
|
| 24 |
Sr2+-neutral molecules interactions: An assessment of theoretical procedures
|
Eizaguirre, Ane
|
|
2008
|
464 |
4-6 |
p. 240-244
5 p.
|
artikel
|
| 25 |
Statistical investigation of new topological indices based on the molecular path code
|
Vukičević, Damir
|
|
2008
|
464 |
4-6 |
p. 155-159
5 p.
|
artikel
|
| 26 |
Study of asymptotic decay of electronic density for excited states including auto-ionizing states of many-electron systems
|
Shamim, Md.
|
|
2008
|
464 |
4-6 |
p. 135-138
4 p.
|
artikel
|
| 27 |
Terahertz spectroscopy and molecular modeling of 2-pyridone clusters
|
Motley, Tanieka L.
|
|
2008
|
464 |
4-6 |
p. 171-176
6 p.
|
artikel
|
| 28 |
Understanding the high energetic behavior of nano-energetic porous silicon
|
Churaman, Wayne
|
|
2008
|
464 |
4-6 |
p. 198-201
4 p.
|
artikel
|
| 29 |
Uniaxially deformed (5,5) carbon nanotube: Structural transitions
|
Poklonski, N.A.
|
|
2008
|
464 |
4-6 |
p. 187-191
5 p.
|
artikel
|
| 30 |
Using random laser emission to investigate the bonding energy of laser dye dimers
|
Tolentino Dominguez, C.
|
|
2008
|
464 |
4-6 |
p. 245-248
4 p.
|
artikel
|
| 31 |
Valence electronic structure of ruthenium based complexes probed by photoelectron spectroscopy at high kinetic energy (HIKE) and modeled by DFT calculations
|
Johansson, E.M.J.
|
|
2008
|
464 |
4-6 |
p. 192-197
6 p.
|
artikel
|
| 32 |
Vibronically-induced change in the chiral response of molecules revealed by electronic circular dichroism spectroscopy
|
Lin, Na
|
|
2008
|
464 |
4-6 |
p. 144-149
6 p.
|
artikel
|
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