| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Assessing group-based cutoffs and the Ewald method for electrostatic interactions in clusters and in saturated, superheated, and supersaturated vapor phases of dipolar molecules
|
Dinpajooh, Mohammadhasan
|
|
2011
|
130 |
1 |
p. 83-93
|
artikel
|
| 2 |
A theoretical study on magnesium ion–selective two-photon fluorescent probe based on benzo [h] chromene derivatives
|
Zhao, Yang
|
|
2011
|
130 |
1 |
p. 61-68
|
artikel
|
| 3 |
Avoiding gas-phase calculations in theoretical pKa predictions
|
Casasnovas, Rodrigo
|
|
2011
|
130 |
1 |
p. 1-13
|
artikel
|
| 4 |
Erratum to: Electric field effects on nuclear spin–spin coupling tensors and chiral discrimination via NMR spectroscopy
|
Pagola, Gabriel I.
|
|
2011
|
130 |
1 |
p. 127
|
artikel
|
| 5 |
Measuring electron sharing between atoms in first-principle simulations
|
Penna, Giovanni La
|
|
2011
|
130 |
1 |
p. 27-36
|
artikel
|
| 6 |
Mechanism and kinetics of the hydroxyl and hydroperoxyl radical scavenging activity of N-acetylcysteine amide
|
Galano, Annia
|
|
2011
|
130 |
1 |
p. 51-60
|
artikel
|
| 7 |
Microscopic binding of butyrylcholinesterase with quinazolinimine derivatives and the structure–activity correlation
|
AbdulHameed, Mohamed Diwan M.
|
|
2011
|
130 |
1 |
p. 69-82
|
artikel
|
| 8 |
On the catalytic mechanism of Pt4+/− in the oxygen transport activation of N2O by CO
|
Lv, Lingling
|
|
2011
|
130 |
1 |
p. 15-25
|
artikel
|
| 9 |
Spectroscopy and dissociation of I2–Rg (Rg = Kr and Xe) van der Waals complexes
|
Pakhira, Srimanta
|
|
2011
|
130 |
1 |
p. 95-101
|
artikel
|
| 10 |
Structural and electronic properties of tungsten trioxides: from cluster to solid surface
|
Jin, Hua
|
|
2011
|
130 |
1 |
p. 103-114
|
artikel
|
| 11 |
Theoretical investigation of one- and two-photon spectra of pyrazabole chromophores
|
Liu, Xiao-Ting
|
|
2011
|
130 |
1 |
p. 37-50
|
artikel
|
| 12 |
Theoretical study on the reactions of trimethylsilane with chlorine and bromine atoms
|
Zhang, Yuan
|
|
2011
|
130 |
1 |
p. 115-125
|
artikel
|
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