| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A hypothesis for GPCR activation
|
Ciarkowski, Jerzy
|
|
2005
|
11 |
4-5 |
p. 407-415
|
artikel
|
| 2 |
A new visualization scheme of chemical energy density and bonds in molecules
|
Tachibana, Akitomo
|
|
2005
|
11 |
4-5 |
p. 301-311
|
artikel
|
| 3 |
An unusual feature of end-substituted model carbon (6,0) nanotubes
|
Politzer, Peter
|
|
2005
|
11 |
4-5 |
p. 258-264
|
artikel
|
| 4 |
Computer modeling and analysis of heterogeneous structures of microporous carbonaceous materials
|
Duda, Jan T.
|
|
2005
|
11 |
4-5 |
p. 416-430
|
artikel
|
| 5 |
Computer simulation of polypeptide translocation through a nanopore
|
Sikorski, Andrzej
|
|
2005
|
11 |
4-5 |
p. 379-384
|
artikel
|
| 6 |
DFT studies on isomerization reactions in the copolymerization of ethylene and methyl acrylate catalyzed by Ni-diimine and Pd-diimine complexes
|
Mitoraj, Mariusz
|
|
2005
|
11 |
4-5 |
p. 341-350
|
artikel
|
| 7 |
Effect of Pt and Sn on the adsorption of n-heptane in γ-Al2O3 catalyst models
|
Szyja, Bartłomiej
|
|
2005
|
11 |
4-5 |
p. 370-378
|
artikel
|
| 8 |
Electrostatics of Cytochrome-c assemblies
|
Renugopalakrishnan, V.
|
|
2005
|
11 |
4-5 |
p. 265-270
|
artikel
|
| 9 |
From cluster calculations to molecular materials: a mixed pseudopotential approach to modeling mixed-valence systems
|
Wojdeł, Jacek C.
|
|
2005
|
11 |
4-5 |
p. 288-292
|
artikel
|
| 10 |
Hydrogen-bond effects on the electronic absorption spectrum and evaluation of nonlinear optical properties of an aminobenzodifuranone derivative that exhibits the largest positive solvatochromism
|
Bartkowiak, Wojciech
|
|
2005
|
11 |
4-5 |
p. 317-322
|
artikel
|
| 11 |
Modeling of adsorption in nanopores
|
Kuchta, Bogdan
|
|
2005
|
11 |
4-5 |
p. 293-300
|
artikel
|
| 12 |
Molecular mass and location of the most abundant peak of the molecular ion isotopomeric cluster
|
Gorączko, Andrzej J.
|
|
2005
|
11 |
4-5 |
p. 271-277
|
artikel
|
| 13 |
Nuclear reactivity indices within regional density functional theory
|
Ordon, Piotr
|
|
2005
|
11 |
4-5 |
p. 312-316
|
artikel
|
| 14 |
On the nature of bonding in HCOOH...Ar and HCOOH...Kr complexes
|
Wawrzyniak, Piotr Kornel
|
|
2005
|
11 |
4-5 |
p. 351-361
|
artikel
|
| 15 |
Organization of rhodopsin molecules in native membranes of rod cells–an old theoretical model compared to new experimental data
|
Filipek, Slawomir
|
|
2005
|
11 |
4-5 |
p. 385-391
|
artikel
|
| 16 |
Properties of star-branched and linear chains in confined space. A Monte-Carlo study
|
Romiszowski, Piotr
|
|
2005
|
11 |
4-5 |
p. 335-340
|
artikel
|
| 17 |
Reinvestigation of molecular structure and barrier to internal rotation of pyridinium N-phenolate betaine dye
|
Niewodniczański, Wawrzyniec
|
|
2005
|
11 |
4-5 |
p. 392-397
|
artikel
|
| 18 |
Spectroscopic characteristics of the micro-environmentally induced H-bond transformation in anil-type species: experimental and theoretical study
|
Lewanowicz, Aleksandra
|
|
2005
|
11 |
4-5 |
p. 398-406
|
artikel
|
| 19 |
Superconductivity: small steps towards the “grand unification”
|
Grochala, Wojciech
|
|
2005
|
11 |
4-5 |
p. 323-329
|
artikel
|
| 20 |
The international workshop “Modeling & Design of Molecular Materials”, held 16–20 September 2004 in Wrocław
|
Sokalski, W. Andrzej
|
|
2005
|
11 |
4-5 |
p. 257
|
artikel
|
| 21 |
Theoretical model of the aqua-copper [Cu(H2O)5]+cation interactions with guanine
|
Burda, Jaroslav V.
|
|
2005
|
11 |
4-5 |
p. 362-369
|
artikel
|
| 22 |
Theoretical study of the electron affinities of the alkaline-earth tetramers possessing Td symmetry: Be4 and Mg4
|
Dìaz, Cesar Carlos
|
|
2005
|
11 |
4-5 |
p. 330-334
|
artikel
|
| 23 |
Towards a tunable molecular memory that fits into a (10 Å)3 cube
|
Sokołowski, Adam
|
|
2005
|
11 |
4-5 |
p. 278-287
|
artikel
|
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