| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A molecular dynamics study on the adsorption of a mussel protein on two different films: Polymer film and a SAM
|
He, Cunxue
|
|
2017
|
676 |
C |
p. 144-149
6 p.
|
artikel
|
| 2 |
An excellent stable fluorescent probe: Selective and sensitive detection of trace amounts of Hg+2 ions in natural source of water
|
Singh, Ranjana
|
|
2017
|
676 |
C |
p. 39-45
7 p.
|
artikel
|
| 3 |
A time-dependent quantum dynamical study of the O(3P)+D2 + →OD+ +D reaction
|
Zhang, Ai-jie
|
|
2017
|
676 |
C |
p. 77-81
5 p.
|
artikel
|
| 4 |
Chemical interface damping of single gold nanorods with low sensitivity to the medium dielectric constant
|
Ha, Ji Won
|
|
2017
|
676 |
C |
p. 65-69
5 p.
|
artikel
|
| 5 |
Chirp control of multi-photon resonance ionization and charge-resonance enhanced ionization on molecular harmonic generation
|
Liu, Hang
|
|
2017
|
676 |
C |
p. 118-123
6 p.
|
artikel
|
| 6 |
Computational prediction of endohedral dimetalloborofullerenes M2@B80 (M=Sc, Y)
|
Liu, Chang
|
|
2017
|
676 |
C |
p. 89-94
6 p.
|
artikel
|
| 7 |
Configuration and energy landscape of the benzonitrile anion
|
Kirnosov, Nikita
|
|
2017
|
676 |
C |
p. 32-38
7 p.
|
artikel
|
| 8 |
Contents
|
|
|
2017
|
676 |
C |
p. iii-x
nvt p.
|
artikel
|
| 9 |
Continuity of heavy Rydberg behaviour in the ungerade ion-pair states of H2
|
Chartrand, Alexander M.
|
|
2017
|
676 |
C |
p. 140-143
4 p.
|
artikel
|
| 10 |
Determination of pK a constants of hypericin in aqueous solution of the anti-allergic hydrotropic drug Cromolyn disodium salt
|
Keša, Peter
|
|
2017
|
676 |
C |
p. 112-117
6 p.
|
artikel
|
| 11 |
Determination of the absolute binding free energies of HIV-1 protease inhibitors using non-equilibrium molecular dynamics simulations
|
Ngo, Son Tung
|
|
2017
|
676 |
C |
p. 12-17
6 p.
|
artikel
|
| 12 |
Different CO2 absorbents-modified SBA-15 sorbent for highly selective CO2 capture
|
Liu, Xiuwu
|
|
2017
|
676 |
C |
p. 53-57
5 p.
|
artikel
|
| 13 |
Differential interference contrast microscopy imaging of single gold nanospheres beyond the quasi-static limit
|
Lee, So Young
|
|
2017
|
676 |
C |
p. 108-111
4 p.
|
artikel
|
| 14 |
Editorial Board
|
|
|
2017
|
676 |
C |
p. IFC-
1 p.
|
artikel
|
| 15 |
Exactly solvable Schrödinger equation with double-well potential for hydrogen bond
|
Sitnitsky, A.E.
|
|
2017
|
676 |
C |
p. 169-173
5 p.
|
artikel
|
| 16 |
Exploring the effect of oxygen coverage on the electronic, magnetic and chemical properties of Ni(111) supported h-BN sheet: A density functional study
|
Wasey, A.H.M. Abdul
|
|
2017
|
676 |
C |
p. 124-128
5 p.
|
artikel
|
| 17 |
Ferrocene-based diradicals of imino nitroxide, nitronyl nitroxide and verdazyl, and their cations are possible SMM: A quantum chemical study
|
Pal, Arun K.
|
|
2017
|
676 |
C |
p. 70-76
7 p.
|
artikel
|
| 18 |
Generalized Shannon’s entropy as generator of local density functionals
|
Flores-Gallegos, N.
|
|
2017
|
676 |
C |
p. 1-5
5 p.
|
artikel
|
| 19 |
Molecular mechanism of the dark-state recovery in BLUF photoreceptors
|
Khrenova, Maria G.
|
|
2017
|
676 |
C |
p. 25-31
7 p.
|
artikel
|
| 20 |
Molecular modelling and quantum mechanical calculations of the hydration free energy of buckminsterfullerene
|
Luzhkov, Victor B.
|
|
2017
|
676 |
C |
p. 95-98
4 p.
|
artikel
|
| 21 |
N2 elimination thermolysis reactions of 9-(4- and 5-substituted-1,2,3-triazol-1-yl)acridines to produce 1H-pyrido-[4,3,2-kl] derivatives – A theoretical study
|
Taherpour, Avat (Arman)
|
|
2017
|
676 |
C |
p. 154-168
15 p.
|
artikel
|
| 22 |
NMR investigation of substituent effects on strength the intramolecular hydrogen bonding interaction in X–phenylhydrazones switches: A theoretical study
|
Gholipour, Alireza
|
|
2017
|
676 |
C |
p. 6-11
6 p.
|
artikel
|
| 23 |
On the hydration and conformation of cocaine in solution
|
Gillams, Richard J.
|
|
2017
|
676 |
C |
p. 58-64
7 p.
|
artikel
|
| 24 |
Partition function of improved Tietz oscillators
|
Jia, Chun-Sheng
|
|
2017
|
676 |
C |
p. 150-153
4 p.
|
artikel
|
| 25 |
Photovoltaic characterization of graphene/silicon Schottky junctions from local and macroscopic perspectives
|
Hájková, Zdeňka
|
|
2017
|
676 |
C |
p. 82-88
7 p.
|
artikel
|
| 26 |
Plasmon-enhanced phosphorescence of hybrid thin films of metal-free purely organic phosphor and silver nanoparticles
|
Seo, Changwon
|
|
2017
|
676 |
C |
p. 134-139
6 p.
|
artikel
|
| 27 |
Structural analysis of flavonoids in solution through DFT 1H NMR chemical shift calculations: Epigallocatechin, Kaempferol and Quercetin
|
De Souza, Leonardo A.
|
|
2017
|
676 |
C |
p. 46-52
7 p.
|
artikel
|
| 28 |
Surfactant concentration dependent metachromasy of an anionic cyanine dye in adsorbed and deposited Langmuir films
|
Shil, Ashis
|
|
2017
|
676 |
C |
p. 99-107
9 p.
|
artikel
|
| 29 |
Theoretical investigation of the weak interaction between graphene and alcohol solvents
|
Wang, Haining
|
|
2017
|
676 |
C |
p. 129-133
5 p.
|
artikel
|
| 30 |
Water-soluble Au13 clusters protected by binary thiolates: Structural accommodation and the use for chemosensing
|
Ding, Weihua
|
|
2017
|
676 |
C |
p. 18-24
7 p.
|
artikel
|
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