| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A theoretical study of a model of N-tert-butyl-α-phenylnitrone (PBN) as active oxygen species scavenger
|
Nakai, Sachiko
|
|
1996
|
204 |
2-3 |
p. 313-326
14 p.
|
artikel
|
| 2 |
Author index to volume 204
|
|
|
1996
|
204 |
2-3 |
p. 479-483
5 p.
|
artikel
|
| 3 |
Chemical softness in model electronic systems: dependence on temperature and chemical potential
|
Chattaraj, Pratim K.
|
|
1996
|
204 |
2-3 |
p. 429-437
9 p.
|
artikel
|
| 4 |
Comparing theoretical and experimental backbone-dependent sidechain conformational preferences for linear, branched, aromatic and polar residues
|
Marcus, Emil
|
|
1996
|
204 |
2-3 |
p. 157-171
15 p.
|
artikel
|
| 5 |
Computer-aided study of the relationship between structure and antituberculosis activity of a series of isoniazid derivatives
|
Klopman, Gilles
|
|
1996
|
204 |
2-3 |
p. 181-193
13 p.
|
artikel
|
| 6 |
Correlation between energetics and toxicities of single-carbon halides
|
Kaufman, Joyce J.
|
|
1996
|
204 |
2-3 |
p. 233-237
5 p.
|
artikel
|
| 7 |
Design of new inhibitors of HIV-1 aspartic protease
|
Miertus, S.
|
|
1996
|
204 |
2-3 |
p. 173-180
8 p.
|
artikel
|
| 8 |
Electrostatic effects on the rates of DNA-catalyzed reactions
|
Pack, George R.
|
|
1996
|
204 |
2-3 |
p. 279-288
10 p.
|
artikel
|
| 9 |
Interactions of anesthetics with the membrane-water interface
|
Pohorille, Andrew
|
|
1996
|
204 |
2-3 |
p. 337-345
9 p.
|
artikel
|
| 10 |
Ionization and attachment in valence bond theory
|
McWeeny, Roy
|
|
1996
|
204 |
2-3 |
p. 463-468
6 p.
|
artikel
|
| 11 |
Low frequency motions in phosphoglycerate kinase. A normal mode analysis
|
Guilbert, Christophe
|
|
1996
|
204 |
2-3 |
p. 327-336
10 p.
|
artikel
|
| 12 |
Mechanism of action of antifreeze polypeptide HPLC6 in solution: analysis of solvent behaviour by molecular dynamics
|
Brooke-Taylor, Charles A.
|
|
1996
|
204 |
2-3 |
p. 251-261
11 p.
|
artikel
|
| 13 |
Molecular and electrostatic properties of the N-methylated nucleic acid bases by density functional theory
|
Bakalarski, Gregorz
|
|
1996
|
204 |
2-3 |
p. 301-311
11 p.
|
artikel
|
| 14 |
Molecular force fields of uracil and thymine, through neutron inelastic scattering experiments and scaled quantum mechanical calculations
|
Aamouche, A.
|
|
1996
|
204 |
2-3 |
p. 353-363
11 p.
|
artikel
|
| 15 |
Nonempirical ab initio calculations on DNA base pairs
|
Šponer, Jiří
|
|
1996
|
204 |
2-3 |
p. 365-372
8 p.
|
artikel
|
| 16 |
On the deprotonation of the cation radicals of substituted ethylenes. A heterolytic or homolytic process?
|
Camanyes, Santiago
|
|
1996
|
204 |
2-3 |
p. 419-427
9 p.
|
artikel
|
| 17 |
PCILO investigations on the conformation of two-base hairpin loop in DNA
|
Bhaumik, Sukesh R.
|
|
1996
|
204 |
2-3 |
p. 205-211
7 p.
|
artikel
|
| 18 |
PCILO studies on anti-AIDS agents: conformation of ddG and ddAPR
|
Saran, Anil
|
|
1996
|
204 |
2-3 |
p. 213-221
9 p.
|
artikel
|
| 19 |
Poisson-Boltzmann calculations for nucleic acids and nucleic acids complexes
|
Zakrzewska, Krystyna
|
|
1996
|
204 |
2-3 |
p. 263-269
7 p.
|
artikel
|
| 20 |
Polarization of the excited states of twisted ethylene in a non-symmetrical environment
|
Zijlstra, Robert W.J.
|
|
1996
|
204 |
2-3 |
p. 439-446
8 p.
|
artikel
|
| 21 |
Preface
|
Goldblum, Amiram
|
|
1996
|
204 |
2-3 |
p. iii-
1 p.
|
artikel
|
| 22 |
Quantum molecular study of S-methylated forms of sulfur mustard
|
Hamza, A.
|
|
1996
|
204 |
2-3 |
p. 373-389
17 p.
|
artikel
|
| 23 |
Radiationless decay via ESIPT of the first excited singlet of the hemiporphyrazine
|
Peluso, Andrea
|
|
1996
|
204 |
2-3 |
p. 347-351
5 p.
|
artikel
|
| 24 |
Relationships of molecular surface electrostatic potentials to some macroscopic properties
|
Murray, Jane S.
|
|
1996
|
204 |
2-3 |
p. 289-299
11 p.
|
artikel
|
| 25 |
Solvent effects on the internal rotation of neutral and protonated glyoxal
|
Coitiño, Elena L.
|
|
1996
|
204 |
2-3 |
p. 391-402
12 p.
|
artikel
|
| 26 |
Structure-function correlation of intramolecular electron transfer in wild type and single-site mutated azurins
|
Farver, Ole
|
|
1996
|
204 |
2-3 |
p. 271-277
7 p.
|
artikel
|
| 27 |
Subject index to volume 204
|
|
|
1996
|
204 |
2-3 |
p. 484-494
11 p.
|
artikel
|
| 28 |
The effect of hydrogen bonding on protonation energies and ion pair formation
|
Fülscher, Markus P.
|
|
1996
|
204 |
2-3 |
p. 403-410
8 p.
|
artikel
|
| 29 |
The effect of intramolecular H-bonds on the aqueous solution continuum description of the N-protonated form of dopamine
|
Alagona, Giuliano
|
|
1996
|
204 |
2-3 |
p. 239-249
11 p.
|
artikel
|
| 30 |
The electronic structures and magnetic properties of one-dimensional ABO6 chains in Sr3ABO6 (A = Co, Ni; B = Pt, Ir) and two-dimensional MO3 sheets in InMO3 (M = Fe, Mn)
|
Vajenine, Grigori V.
|
|
1996
|
204 |
2-3 |
p. 469-478
10 p.
|
artikel
|
| 31 |
Theoretical study of the structures and racemization barriers of [n]helicenes (n = 3–6, 8)
|
Grimme, S.
|
|
1996
|
204 |
2-3 |
p. 411-417
7 p.
|
artikel
|
| 32 |
Transition structure and reactive complexes for hydride transfer in an isoalloxazine-nicotinamide complex. On the catalytic mechanism of glutathione reductase. An ab initio MO SCF study
|
Diaz, W.
|
|
1996
|
204 |
2-3 |
p. 195-203
9 p.
|
artikel
|
| 33 |
1,1,1-Trichloroethane-bound cytochrome P450cam dynamics. Does active site water make a difference?
|
Manchester, John I.
|
|
1996
|
204 |
2-3 |
p. 223-231
9 p.
|
artikel
|
| 34 |
Valence bond description of spin properties of π-conjugated systems
|
Li, Xiangzhu
|
|
1996
|
204 |
2-3 |
p. 447-461
15 p.
|
artikel
|
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