nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
A B3LYP/6-31G** study on the chlorination of ammonia by hypochlorous acid
|
Andrés, J. |
|
2001 |
342 |
3-4 |
p. 405-410 6 p. |
artikel |
2 |
Anions of the hydrogen-bonded guanine–cytosine dimer – theoretical study
|
Smets, Johan |
|
2001 |
342 |
3-4 |
p. 342-346 5 p. |
artikel |
3 |
A quantitative study of the volume changes resulting from pressure-induced unfolding of m-phenylene ethynylene foldamers in solid PMMA and PtBMA
|
Zhu, A. |
|
2001 |
342 |
3-4 |
p. 337-341 5 p. |
artikel |
4 |
Carbon monoxide-assisted growth of carbon nanotubes
|
Tang, Y.H |
|
2001 |
342 |
3-4 |
p. 259-264 6 p. |
artikel |
5 |
Chemical oscillations based on photoautocatalysis of ozone
|
Jungwirth, Pavel |
|
2001 |
342 |
3-4 |
p. 287-292 6 p. |
artikel |
6 |
Conformational dynamics of the dimethyl phosphate anion in solution
|
Schwegler, Eric |
|
2001 |
342 |
3-4 |
p. 434-440 7 p. |
artikel |
7 |
Correlation of lifetimes observed in two vibrational levels of the H 2 EF 1Σ g + state
|
Kiyoshima, Tatsuro |
|
2001 |
342 |
3-4 |
p. 461-466 6 p. |
artikel |
8 |
Dipole moment of ArH+X1 Σ + from analysis of pure rotational and vibration-rotational spectra
|
Molski, Marcin |
|
2001 |
342 |
3-4 |
p. 293-298 6 p. |
artikel |
9 |
2D 15 N–15 N isotropic chemical shift correlation established by 1 H–1 H dipolar coherence transfer in biological solids
|
Wei, Yufeng |
|
2001 |
342 |
3-4 |
p. 312-316 5 p. |
artikel |
10 |
Electron detachment dissociation of peptide di-anions: an electron–hole recombination phenomenon
|
Budnik, Bogdan A. |
|
2001 |
342 |
3-4 |
p. 299-302 4 p. |
artikel |
11 |
Electron photodetachment from [Fe(CN)6]4−: photoelectron relaxation and geminate recombination
|
Lenchenkov, Victor |
|
2001 |
342 |
3-4 |
p. 277-286 10 p. |
artikel |
12 |
Gaussian-theory predictions of proton transfer to water of phenol and 3-chlorophenol: resolution of an apparent difficulty
|
Smith, Brian J |
|
2001 |
342 |
3-4 |
p. 402-404 3 p. |
artikel |
13 |
High-level ab initio calculations of the torsional potential of glyoxal
|
Sancho-Garcı́a, J.C. |
|
2001 |
342 |
3-4 |
p. 452-460 9 p. |
artikel |
14 |
Hole-burning spectroscopy and ab initio calculations for the aniline dimer
|
Yamamoto, Norifumi |
|
2001 |
342 |
3-4 |
p. 417-424 8 p. |
artikel |
15 |
Intramolecular charge transfer processes and solvation dynamics of coumarin 490 in reverse micelles
|
Hazra, Partha |
|
2001 |
342 |
3-4 |
p. 303-311 9 p. |
artikel |
16 |
Molecular docking of α-cyclodextrin inclusion complexes by genetic algorithm and empirical binding free energy function
|
Cai, Wensheng |
|
2001 |
342 |
3-4 |
p. 387-396 10 p. |
artikel |
17 |
On interpreting the photoelectron spectra of MgO−
|
Bauschlicher Jr., Charles W. |
|
2001 |
342 |
3-4 |
p. 441-446 6 p. |
artikel |
18 |
On the prediction of band gaps from hybrid functional theory
|
Muscat, J. |
|
2001 |
342 |
3-4 |
p. 397-401 5 p. |
artikel |
19 |
On the semiclassical dissociation yields of the doubly excited states of H2
|
Borges Jr., Itamar |
|
2001 |
342 |
3-4 |
p. 411-416 6 p. |
artikel |
20 |
Optical limiting response in a unsymmetrical dithiolene metal complex (Me4N)2[Zn(dmit)(Sph)2]
|
Sun, Zhenrong |
|
2001 |
342 |
3-4 |
p. 323-327 5 p. |
artikel |
21 |
Radical-induced core destruction of monolayer-protected metal clusters
|
Sandhyarani, N. |
|
2001 |
342 |
3-4 |
p. 272-276 5 p. |
artikel |
22 |
Recoupling of heteronuclear dipolar interactions in solid-state NMR using symmetry-based pulse sequences
|
Zhao, Xin |
|
2001 |
342 |
3-4 |
p. 353-361 9 p. |
artikel |
23 |
Resonance Raman and ab initio investigation of I2-olefin complexes
|
Zheng, Xuming |
|
2001 |
342 |
3-4 |
p. 425-433 9 p. |
artikel |
24 |
Reversible water-solubilization of single-walled carbon nanotubes by polymer wrapping
|
O'Connell, Michael J. |
|
2001 |
342 |
3-4 |
p. 265-271 7 p. |
artikel |
25 |
Sampling efficiency of molecular dynamics and Monte Carlo method in protein simulation
|
Yamashita, Hiroshi |
|
2001 |
342 |
3-4 |
p. 382-386 5 p. |
artikel |
26 |
The effect of reversible binding of the autocatalyst on the lateral instability of reaction fronts
|
Jakab, Éva |
|
2001 |
342 |
3-4 |
p. 317-322 6 p. |
artikel |
27 |
The heat of formation of sulfine, CH2SO, revisited: a CBS-QB3 study
|
Ruttink, Paul J.A. |
|
2001 |
342 |
3-4 |
p. 447-451 5 p. |
artikel |
28 |
Theoretical study of adsorbed-decomposition of NO, CO and CH2O on a TiO 2(110) (1×1) defect surface
|
Li, Junqian |
|
2001 |
342 |
3-4 |
p. 249-258 10 p. |
artikel |
29 |
The orientational ordering of a biaxial particle in a uniaxial environment by Monte Carlo sampling: a new approach to the problem
|
Celebre, Giorgio |
|
2001 |
342 |
3-4 |
p. 375-381 7 p. |
artikel |
30 |
The scaling study for the hydrogen bonding networks
|
Wang, Hai-jun |
|
2001 |
342 |
3-4 |
p. 347-352 6 p. |
artikel |
31 |
Three-frequency nuclear quadrupole resonance of spin-1 nuclei
|
Sauer, K.L. |
|
2001 |
342 |
3-4 |
p. 362-368 7 p. |
artikel |
32 |
Topological coordinates for toroidal structures
|
László, István |
|
2001 |
342 |
3-4 |
p. 369-374 6 p. |
artikel |
33 |
Triplet state characteristics of 2,2′- and 4,4′-biphenyldiols studied by 248 nm nanosecond laser flash photolysis
|
Mohanty, J. |
|
2001 |
342 |
3-4 |
p. 328-336 9 p. |
artikel |