| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate micro- and macro- gas phase basicities of hydroxyl-radical-modified pyrimidines estimated by advanced quantum chemistry methods
|
Cysewski, Piotr
|
|
2008
|
15 |
6 |
p. 711-722
|
artikel
|
| 2 |
Adsorption into the MFI zeolite of aromatic molecule of biological relevance. Investigations by Monte Carlo simulations
|
Boulet, Pascal
|
|
2008
|
15 |
6 |
p. 573-579
|
artikel
|
| 3 |
Analysis of diatomic bond dissociation and formation in terms of the reaction force and the position-dependent reaction force constant
|
Murray, Jane S.
|
|
2008
|
15 |
6 |
p. 701-706
|
artikel
|
| 4 |
Design of laser pulses for selective vibrational excitation of the N6-H bond of adenine and adenine-thymine base pair using optimal control theory
|
Sharma, Sitansh
|
|
2008
|
15 |
6 |
p. 623-631
|
artikel
|
| 5 |
Detection of symmetrical decomposition of molecules—isotopomeric analysis of the M/2 clusters
|
Gorączko, Andrzej J.
|
|
2009
|
15 |
6 |
p. 747-758
|
artikel
|
| 6 |
Expansion of the σ-hole concept
|
Murray, Jane S.
|
|
2008
|
15 |
6 |
p. 723-729
|
artikel
|
| 7 |
First principles calculations on the influence of water-filled cavities on the electronic structure of Prussian Blue
|
Wojdeł, Jacek C.
|
|
2008
|
15 |
6 |
p. 567-572
|
artikel
|
| 8 |
Higher order multipole moments for molecular dynamics simulations
|
Plattner, Nuria
|
|
2009
|
15 |
6 |
p. 687-694
|
artikel
|
| 9 |
How does modification of adenine by hydroxyl radical influence the stability and the nature of stacking interactions in adenine-cytosine complex?
|
Czyżnikowska, Żaneta
|
|
2009
|
15 |
6 |
p. 615-622
|
artikel
|
| 10 |
Importance of oligomerisation on Pseudomonas aeruginosaLectin-II binding affinity. In silico and in vitro mutagenesis
|
Wimmerová, Michaela
|
|
2009
|
15 |
6 |
p. 673-679
|
artikel
|
| 11 |
In silico approach to cisplatin toxicity. Quantum chemical studies on platinum(II)–cysteine systems
|
Chojnacki, Henryk
|
|
2009
|
15 |
6 |
p. 659-664
|
artikel
|
| 12 |
International conference: Modeling & Design of Molecular Materials - MDMM 2008 (23–28 June 2008, Piechowice, Poland)
|
Sokalski, W. Andrzej
|
|
2009
|
15 |
6 |
p. 565
|
artikel
|
| 13 |
kNNsim: k-Nearest neighbors similarity with genetic algorithm features optimization enhances the prediction of activity classes for small molecules
|
Plewczynski, Dariusz
|
|
2008
|
15 |
6 |
p. 591-596
|
artikel
|
| 14 |
Linear and nonlinear optical properties of azobenzene derivatives
|
Krawczyk, P.
|
|
2009
|
15 |
6 |
p. 581-590
|
artikel
|
| 15 |
Meta-basic estimates the size of druggable human genome
|
Plewczynski, Dariusz
|
|
2008
|
15 |
6 |
p. 695-699
|
artikel
|
| 16 |
Modeling the noncovalent interactions at the metabolite binding site in purine riboswitches
|
Sharma, Purshotam
|
|
2009
|
15 |
6 |
p. 633-649
|
artikel
|
| 17 |
Prediction of the doubly charged ion pattern by modelling the high- and low-resolution mass spectra of isotopomeric forms
|
Gorączko, Andrzej J.
|
|
2009
|
15 |
6 |
p. 759-764
|
artikel
|
| 18 |
Properties and applications of the average interparticle distance
|
Hollett, J. W.
|
|
2008
|
15 |
6 |
p. 739-745
|
artikel
|
| 19 |
Search for inhibitors of AminoAcyl-tRNA synthases by virtual click chemistry
|
Hoffmann, Marcin
|
|
2008
|
15 |
6 |
p. 665-672
|
artikel
|
| 20 |
Solvent impact on the aromaticity of benzene analogues: implicit versus explicit solvent approach
|
Cysewski, Piotr
|
|
2009
|
15 |
6 |
p. 731-738
|
artikel
|
| 21 |
Structural and energetic heterogeneities of canonical and oxidized central guanine triad of B-DNA telomeric fragments
|
Cysewski, Piotr
|
|
2008
|
15 |
6 |
p. 607-613
|
artikel
|
| 22 |
Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives
|
Doskocz, Marek
|
|
2009
|
15 |
6 |
p. 651-658
|
artikel
|
| 23 |
The post-SCF quantum chemistry characteristics of inter- and intra-strand stacking interactions in d(CpG) and d(GpC) steps found in B-DNA, A-DNA and Z-DNA crystals
|
Cysewski, Piotr
|
|
2008
|
15 |
6 |
p. 597-606
|
artikel
|
| 24 |
The reaction force and the transition region of a reaction
|
Toro-Labbé, Alejandro
|
|
2008
|
15 |
6 |
p. 707-710
|
artikel
|
| 25 |
The structure of polymer chains in confinement. A Monte Carlo study
|
Romiszowski, Piotr
|
|
2009
|
15 |
6 |
p. 681-686
|
artikel
|
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