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                             18 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 A comprehensive theoretical study of the hydrogen bonding interactions and microscopic solvation structures of a pyridyl-urea-based hydrogelator in aqueous solution Meng, Suci
2013
1006 C p. 76-84
9 p.
artikel
2 A DFT study on the electron affinity of tetrachloro-p-benzoquinone: Toward to understanding its electron-accepting ability in solution Li, Ping
2013
1006 C p. 127-132
6 p.
artikel
3 A model system with intramolecular hydrogen bonding: Effect of external electric field on the tautomeric conversion and electronic structures Enchev, Venelin
2013
1006 C p. 113-122
10 p.
artikel
4 Application of two-layer ONIOM for studying the interaction of N-substituted piperazinylfluoroquinolones with ds-DNA Ahmadi, F.
2013
1006 C p. 9-18
10 p.
artikel
5 Aqueous microsolvation of HgClOH. A systematic MP2 study of the HgClOH–(H2O) n species with n =1–4 Amaro-Estrada, J.I.
2013
1006 C p. 47-51
5 p.
artikel
6 Carbenes and nitrenes. An overview Shainyan, Bagrat A.
2013
1006 C p. 52-61
10 p.
artikel
7 Charge delocalization in Z-isomers of (4α→6″, 2α→O→1″)-phenylflavans with R=H, OH and OCH3. Effects on bond dissociation enthalpies and ionization potentials Lobayan, Rosana M.
2013
1006 C p. 37-46
10 p.
artikel
8 Density functional study on structures, stabilities, electronic and magnetic properties of Nb n O (n =3–10) clusters Wang, Huai-Qian
2013
1006 C p. 70-75
6 p.
artikel
9 DFT study on the reaction of the α-amino acid anion catalyzed by the aldehyde: Decarboxylation vs. intramolecular CO2 transfer Xiang, Zhang
2013
1006 C p. 1-8
8 p.
artikel
10 Editorial Board 2013
1006 C p. IFC-
1 p.
artikel
11 Exploration on stability, aromaticity, and potential energy surface of planar B n C2 (n =3–8) Wang, Cheng
2013
1006 C p. 19-30
12 p.
artikel
12 Folding of α-helices into bundles in long polyalanines Palenčár, Peter
2013
1006 C p. 62-69
8 p.
artikel
13 Pauli potential and Pauli charge from experimental electron density Tsirelson, Vladimir G.
2013
1006 C p. 92-99
8 p.
artikel
14 Stability and reactivity of progressively methylolated melamine derivatives Zidar, Jernej
2013
1006 C p. 85-91
7 p.
artikel
15 Structure, stability, and vibrational fundamentals of low-lying isomers of C 6 H 7 + Chen, Hui-Fen
2013
1006 C p. 100-104
5 p.
artikel
16 The abstraction reaction of H and C–H stretch excited CHD3: A QCT study on an ab initio based potential energy surface Espinosa-Garcia, Joaquin
2013
1006 C p. 123-126
4 p.
artikel
17 The effects of collision energy and reagent vibrational excitation on the reactivity of the reaction H+LiH: A quasiclassical trajectory study Jiang, Zhi-Jun
2013
1006 C p. 31-36
6 p.
artikel
18 Theoretical investigation of phase transformations and molecular surface properties of polycyclic saturated hydrocarbon isomers of JP-10 Keshavarz, Mohammad Hossein
2013
1006 C p. 105-112
8 p.
artikel
                             18 gevonden resultaten
 
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