| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio molecular orbital calculations of potential energy surfaces for the N( 4 S , 2 D , 2 P )+H2 reactions
|
Takayanagi, Toshiyuki
|
|
2000
|
321 |
1-2 |
p. 106-112
7 p.
|
artikel
|
| 2 |
Ab initio/Rice–Ramsperger–Kassel–Marcus approach to carbon nitride formation: CH3NH2 decomposition
|
Zhang, R.Q
|
|
2000
|
321 |
1-2 |
p. 101-105
5 p.
|
artikel
|
| 3 |
Ab initio study of periodic ice surfaces containing HCl
|
Casassa, Silvia
|
|
2000
|
321 |
1-2 |
p. 1-7
7 p.
|
artikel
|
| 4 |
A grazing incidence surface X-ray absorption fine structure (GIXAFS) study of alkanethiols adsorbed on Au, Ag, and Cu
|
Floriano, Pierre N.
|
|
2000
|
321 |
1-2 |
p. 175-181
7 p.
|
artikel
|
| 5 |
An ENDOR study of H atoms in HD solid at 4.2 K
|
Kumagai, Jun
|
|
2000
|
321 |
1-2 |
p. 8-12
5 p.
|
artikel
|
| 6 |
Conformational landscapes in amino acids: infrared and ultraviolet ion-dip spectroscopy of phenylalanine in the gas phase
|
Snoek, L.C
|
|
2000
|
321 |
1-2 |
p. 49-56
8 p.
|
artikel
|
| 7 |
Converging multidimensional rovibrational variational calculations: the dissociation energy of (HF)2
|
Mladenović, Mirjana
|
|
2000
|
321 |
1-2 |
p. 135-141
7 p.
|
artikel
|
| 8 |
Density functional studies of molecular polarizabilities.
|
Hinchliffe, Alan
|
|
2000
|
321 |
1-2 |
p. 151-155
5 p.
|
artikel
|
| 9 |
Determination of slow motions in extensively isotopically labeled proteins by magic-angle-spinning 13 C -detected 15 N exchange NMR
|
deAzevedo, E.R.
|
|
2000
|
321 |
1-2 |
p. 43-48
6 p.
|
artikel
|
| 10 |
Diffusion quantum Monte Carlo on multiple-potential surfaces
|
McCoy, Anne B.
|
|
2000
|
321 |
1-2 |
p. 71-77
7 p.
|
artikel
|
| 11 |
Direct observation of semiconduction and photovoltaic behaviour in single molecules of the Photosystem II reaction centre
|
Lukins, Philip B
|
|
2000
|
321 |
1-2 |
p. 13-20
8 p.
|
artikel
|
| 12 |
Effect of size on the Coulomb staircase phenomenon in metal nanocrystals
|
Thomas, P.John
|
|
2000
|
321 |
1-2 |
p. 163-168
6 p.
|
artikel
|
| 13 |
Flip-flops in fluorinated o-cresol
|
Knak Jensen, S.J.
|
|
2000
|
321 |
1-2 |
p. 126-128
3 p.
|
artikel
|
| 14 |
Formation mechanism of fullerene peapods and coaxial tubes: a path to large scale synthesis
|
Smith, Brian W.
|
|
2000
|
321 |
1-2 |
p. 169-174
6 p.
|
artikel
|
| 15 |
Frozen orbital QM/MM methods for density functional theory
|
Murphy, R.B.
|
|
2000
|
321 |
1-2 |
p. 113-120
8 p.
|
artikel
|
| 16 |
Investigation of a van der Waals complex with C1 symmetry: the free-jet rotational spectrum of 1,2-difluoroethane–Ar
|
Melandri, Sonia
|
|
2000
|
321 |
1-2 |
p. 31-36
6 p.
|
artikel
|
| 17 |
Picosecond resonance Raman evidence of the structure of a long-lived electronic excited state of low-spin Fe(III)heme o
|
Schelvis, Johannes P.M
|
|
2000
|
321 |
1-2 |
p. 37-42
6 p.
|
artikel
|
| 18 |
Product study of the C2H5O2+HO2 reaction in 760 Torr of air at 284–312 K
|
Spittler, M
|
|
2000
|
321 |
1-2 |
p. 57-61
5 p.
|
artikel
|
| 19 |
Quantum Monte Carlo study of vibrational states of silanone
|
Acioli, Paulo H.
|
|
2000
|
321 |
1-2 |
p. 121-125
5 p.
|
artikel
|
| 20 |
Seeing molecular orbitals
|
Pascual, J.I
|
|
2000
|
321 |
1-2 |
p. 78-82
5 p.
|
artikel
|
| 21 |
Stable polymers of C74 and C78 fullerenes
|
Okada, Susumu
|
|
2000
|
321 |
1-2 |
p. 156-162
7 p.
|
artikel
|
| 22 |
Structural differences among methanol clusters (n=1–4) hydrogen-bonded to Coumarin 151
|
Palmer, Phillip M.
|
|
2000
|
321 |
1-2 |
p. 62-70
9 p.
|
artikel
|
| 23 |
The asymmetric structure of the n-pentane radical cation: a theoretical study
|
Liu, Y.-J
|
|
2000
|
321 |
1-2 |
p. 89-94
6 p.
|
artikel
|
| 24 |
The ionization energy of the diazomethyl radical (HCNN)
|
Fleming, Patrick E.
|
|
2000
|
321 |
1-2 |
p. 129-134
6 p.
|
artikel
|
| 25 |
The KRb (2)1 Π electronic state
|
Amiot, C
|
|
2000
|
321 |
1-2 |
p. 21-24
4 p.
|
artikel
|
| 26 |
Theoretical studies on the nonlinear optical susceptibilities of 3-methoxy-4-hydroxy-benzaldehyde crystal
|
Lin, Chensheng
|
|
2000
|
321 |
1-2 |
p. 83-88
6 p.
|
artikel
|
| 27 |
Theoretical study on the reversible storage of H2 by BeO
|
Hwang, Der-Yan
|
|
2000
|
321 |
1-2 |
p. 95-100
6 p.
|
artikel
|
| 28 |
Unique magnetic signature of transition metal atoms supported on benzene
|
Pandey, R
|
|
2000
|
321 |
1-2 |
p. 142-150
9 p.
|
artikel
|
| 29 |
Vibronic emission spectrum of the jet cooled m-fluorobenzyl radical in the D1→D0 transition
|
Lee, Sang Kuk
|
|
2000
|
321 |
1-2 |
p. 25-30
6 p.
|
artikel
|
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