| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio and DFT conformational study on nitrosamine (H2N–N=O) and N-Nitrosodimethylamine [(CH3)2N–N=O]
|
do Monte, Silmar A.
|
|
2010
|
22 |
3 |
p. 497-507
|
artikel
|
| 2 |
A computational study on the nature of the halogen bond between sulfides and dihalogen molecules
|
Zhang, Xueying
|
|
2011
|
22 |
3 |
p. 567-576
|
artikel
|
| 3 |
A density functional theory study on the AgnH (n = 1–10) clusters
|
Kuang, Xiangjun
|
|
2010
|
22 |
3 |
p. 517-524
|
artikel
|
| 4 |
A DFT quantum mechanical study of 3-hydroxy-4-pyrone and 3-hydroxy-4-pyridinone based oxidovanadium(IV) complexes
|
Biernacki, K.
|
|
2011
|
22 |
3 |
p. 697-706
|
artikel
|
| 5 |
A 1D zinc(II) polymer with W-like pentanuclear secondary building blocks constructed by 2,6-pyridine-diacylhydrazone ligand
|
Qin, Suni
|
|
2011
|
22 |
3 |
p. 559-565
|
artikel
|
| 6 |
Alexander G. Ogston’s Centennial: Researcher of hyaluronic acid and other biopolymers
|
Hargittai, Istvan
|
|
2011
|
22 |
3 |
p. 489-496
|
artikel
|
| 7 |
Complexes of lasalocid 2-naphthylmethyl ester with monovalent metal cations studied by mass spectrometry, spectroscopic and semiempirical methods
|
Huczyński, Adam
|
|
2011
|
22 |
3 |
p. 627-634
|
artikel
|
| 8 |
Experimental and computational studies on (Z)-1-((4-phenylamino)phenylamino)-methylene)naphthalen-2(1H)-one
|
Alpaslan, Gökhan
|
|
2011
|
22 |
3 |
p. 681-690
|
artikel
|
| 9 |
Exploring the structural, electronic and optical properties of furan-2-carboxaldehyde and 2-acetylthiophene nicotinoylhydrazone
|
Trzesowska-Kruszynska, Agata
|
|
2010
|
22 |
3 |
p. 525-535
|
artikel
|
| 10 |
Insights into amine-based CO2 capture: an ab initio self-consistent reaction field investigation
|
Jackson, Phil
|
|
2010
|
22 |
3 |
p. 537-549
|
artikel
|
| 11 |
Interplay of thermochemistry and Structural Chemistry, the journal (volume 21, 2010) and the discipline
|
Ponikvar-Svet, Maja
|
|
2011
|
22 |
3 |
p. 717-740
|
artikel
|
| 12 |
Modeling the allosteric effect: modification of the tautomerism by intermolecular interactions and extension to molecular wires
|
Alkorta, Ibon
|
|
2011
|
22 |
3 |
p. 707-715
|
artikel
|
| 13 |
Molecular structure, pKa, lipophilicity, solubility, absorption, polar surface area, and blood brain barrier penetration of some antiangiogenic agents
|
Remko, Milan
|
|
2011
|
22 |
3 |
p. 635-648
|
artikel
|
| 14 |
MP2 study on the hydrogen-bonding interaction between 5-hydroxymethyl-uracil and DNA bases: A, C, G, T
|
Qiu, Zai Ming
|
|
2010
|
22 |
3 |
p. 509-516
|
artikel
|
| 15 |
Quantum chemical investigations on the structure–property relationship of aminopolynitrotriazoles
|
Ravi, P.
|
|
2011
|
22 |
3 |
p. 661-669
|
artikel
|
| 16 |
Richard E. Dickerson, Present at the Flood: How structural molecular biology came about
|
Hargittai, Istvan
|
|
2011
|
22 |
3 |
p. 741-743
|
artikel
|
| 17 |
Syntheses, structures, and properties of two binuclear cadmium(II) iodides containing a bis(tridentate) Schiff base/tetradentate tripodal amine: control of coordination numbers by varying ligand matrices
|
Satapathi, Smita
|
|
2011
|
22 |
3 |
p. 605-613
|
artikel
|
| 18 |
Synthesis and spectral studies on some tetrahydrobenzoxanthen-11-ones: crystal and molecular structure of 9,9-dimethyl-12-(2-nitrophenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one
|
Sethukumar, A.
|
|
2011
|
22 |
3 |
p. 671-680
|
artikel
|
| 19 |
Theoretical investigation of the equilibrium structure of the FSO3 radical
|
Uhlíková, Tereza
|
|
2011
|
22 |
3 |
p. 551-557
|
artikel
|
| 20 |
Theoretical studies on a series of 1,2,3-triazoles derivatives as potential high energy density compounds
|
Li, Xiao-Hong
|
|
2011
|
22 |
3 |
p. 577-587
|
artikel
|
| 21 |
Theoretical study of dihydrogen bonded clusters of water with tetrahydroborate
|
Zabardasti, Abedien
|
|
2011
|
22 |
3 |
p. 691-695
|
artikel
|
| 22 |
Theoretical study of substituent and solvent effects on the thermodynamics for cis/trans isomerization and intramolecular rearrangements of 2,2′-diphenoquinones
|
Rayne, Sierra
|
|
2011
|
22 |
3 |
p. 615-625
|
artikel
|
| 23 |
Theoretical study on the reaction mechanism of the OH-initiated oxidation of CH2=C(CH3)CH2CH2OH
|
Du, Benni
|
|
2011
|
22 |
3 |
p. 589-604
|
artikel
|
| 24 |
Tyrosine alkyl esters as prodrug: the structure and intermolecular interactions of l-tyrosine methyl ester compared to l-tyrosine and its ethyl and n-butyl esters
|
Nicolaï, Béatrice
|
|
2011
|
22 |
3 |
p. 649-659
|
artikel
|
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