| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate calculation of binding energies for molecular clusters – Assessment of different models
|
Friedrich, Joachim
|
|
2016
|
472 |
C |
p. 72-80
9 p.
|
artikel
|
| 2 |
A density functional reactivity theory (DFRT) based approach to understand the effect of symmetry of fullerenes on the kinetic, thermodynamic and structural aspects of carbon NanoBuds
|
Sarmah, Amrit
|
|
2016
|
472 |
C |
p. 218-228
11 p.
|
artikel
|
| 3 |
A density functional theory study on structures, stabilities, and electronic and magnetic properties of Au n C (n =1–9) clusters
|
Hou, Xiao-Fei
|
|
2016
|
472 |
C |
p. 50-60
11 p.
|
artikel
|
| 4 |
Chlorine atom formation dynamics in the dissociation of halogenated pyridines after photoexcitation at 235nm: A resonance enhanced multiphoton ionization-time of flight (REMPI-TOF) study
|
Srinivas, D.
|
|
2016
|
472 |
C |
p. 208-217
10 p.
|
artikel
|
| 5 |
Classical oscillators in the control of quantum tunneling: Numerical experiments
|
Kar, Susmita
|
|
2016
|
472 |
C |
p. 185-197
13 p.
|
artikel
|
| 6 |
Clustering of amines and hydrazines in atmospheric nucleation
|
Li, Siyang
|
|
2016
|
472 |
C |
p. 198-207
10 p.
|
artikel
|
| 7 |
Comparison of HfCl4, HfI4, TEMA-Hf, and TDMA-Hf as precursors in early growing stages of HfO2 films deposited by ALD: A DFT study
|
Cortez-Valadez, M.
|
|
2016
|
472 |
C |
p. 81-88
8 p.
|
artikel
|
| 8 |
Contents
|
|
|
2016
|
472 |
C |
p. iii-x
nvt p.
|
artikel
|
| 9 |
Effects of collision energy on the stereodynamics of the reaction O+H2 + →OH+H+
|
Sui, Xiaolin
|
|
2016
|
472 |
C |
p. 156-162
7 p.
|
artikel
|
| 10 |
Effects of temperature and isotopic substitution on electron attachment dynamics of guanine–cytosine base pair: Ring-polymer and classical molecular dynamics simulations
|
Minoshima, Yusuke
|
|
2016
|
472 |
C |
p. 1-8
8 p.
|
artikel
|
| 11 |
Electronic and magnetic properties of CrGen (15⩽ n ⩽29) clusters: A DFT study
|
Mahtout, Sofiane
|
|
2016
|
472 |
C |
p. 270-277
8 p.
|
artikel
|
| 12 |
Electron-vibration relaxation in oxygen plasmas
|
Laporta, V.
|
|
2016
|
472 |
C |
p. 44-49
6 p.
|
artikel
|
| 13 |
Fast calculation of molecular total energy with ABEEMσπ/MM method – For some series of organic molecules and peptides
|
Yang, Zhong-Zhi
|
|
2016
|
472 |
C |
p. 24-35
12 p.
|
artikel
|
| 14 |
Fast solute diffusivity in ionic liquids with silyl or siloxane groups studied by the transient grating method
|
Endo, Takatsugu
|
|
2016
|
472 |
C |
p. 128-134
7 p.
|
artikel
|
| 15 |
Hydrophobicity and thermodynamic response for aqueous solutions of amphiphiles
|
Zemánková, Katerina
|
|
2016
|
472 |
C |
p. 36-43
8 p.
|
artikel
|
| 16 |
Hysteresis of transient populations in absorbing-state systems
|
Kapitanchuk, Oleksiy L.
|
|
2016
|
472 |
C |
p. 249-261
13 p.
|
artikel
|
| 17 |
IFC (Editorial Board)
|
|
|
2016
|
472 |
C |
p. IFC-
1 p.
|
artikel
|
| 18 |
Impact of deformation energy on the hydrogen bonding interactions in gas phase 3-X catechol ⋯ H2O complexes (X=H, F, Cl, Br): The effect of approach of a water molecule
|
Deb, Debojit Kumar
|
|
2016
|
472 |
C |
p. 95-104
10 p.
|
artikel
|
| 19 |
Infrared spectroscopy of water clusters co-adsorbed with hydrogen molecules on a sodium chloride film
|
Yamakawa, Koichiro
|
|
2016
|
472 |
C |
p. 89-94
6 p.
|
artikel
|
| 20 |
Internal rotation for predicting conformational population of 1,2-difluorethane and 1,2-dichloroethane
|
Venâncio, Mateus F.
|
|
2016
|
472 |
C |
p. 135-141
7 p.
|
artikel
|
| 21 |
Investigation on the interactions between fullerene and β-CD-g-hyperbranched polyglycerol to produce water-soluble fullerene
|
Eskandari, Mohammad
|
|
2016
|
472 |
C |
p. 9-17
9 p.
|
artikel
|
| 22 |
Laser induced magneto-Raman optical gain of an exciton and a biexciton in a CdTe/ZnTe quantum dot
|
Sujanah, P.
|
|
2016
|
472 |
C |
p. 112-118
7 p.
|
artikel
|
| 23 |
Modifying Poisson equation for near-solute dielectric polarization and solvation free energy
|
Yang, Pei-Kun
|
|
2016
|
472 |
C |
p. 229-240
12 p.
|
artikel
|
| 24 |
Molecular dynamics and first-principles studies of structural change in 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) in crystalline state under high pressure: Comparison of hydrogen bond systems of TATB versus 1,3-diamino-2,4,6-trinitrobenzene (DATB)
|
Kohno, Yuji
|
|
2016
|
472 |
C |
p. 163-172
10 p.
|
artikel
|
| 25 |
Molecular dynamics in high electric fields
|
Apostol, M.
|
|
2016
|
472 |
C |
p. 262-269
8 p.
|
artikel
|
| 26 |
Molecular dynamics simulations of temperature-dependent structures and dynamics of ethylammonium nitrate protic ionic liquid: The role of hydrogen bond
|
Huang, Yiping
|
|
2016
|
472 |
C |
p. 105-111
7 p.
|
artikel
|
| 27 |
Nonequilibrium thermodynamic formalism of nonlinear chemical reaction systems with Waage–Guldberg’s law of mass action
|
Ge, Hao
|
|
2016
|
472 |
C |
p. 241-248
8 p.
|
artikel
|
| 28 |
On the formation of niacin (vitamin B3) and pyridine carboxylic acids in interstellar model ices
|
McMurtry, Brandon M.
|
|
2016
|
472 |
C |
p. 173-184
12 p.
|
artikel
|
| 29 |
On the ultrafast charge migration dynamics in isolated ionized halogen, chalcogen, pnicogen, and tetrel bonded clusters
|
Chandra, Sankhabrata
|
|
2016
|
472 |
C |
p. 61-71
11 p.
|
artikel
|
| 30 |
Product channels in the 193-nm photodissociation of HCNO (fulminic acid)
|
Feng, Wenhui
|
|
2016
|
472 |
C |
p. 18-23
6 p.
|
artikel
|
| 31 |
The role of halogen C–X1⋯X2–C contact on the preferred conformation of 2-perhalomethylchromones in solid state
|
Alcívar León, C.D.
|
|
2016
|
472 |
C |
p. 142-155
14 p.
|
artikel
|
| 32 |
The rovibrational nature of closed-shell third-row triatomics: HOX and HXO, X=Si+, P, S+, and Cl
|
Kitchens, Mason J.R.
|
|
2016
|
472 |
C |
p. 119-127
9 p.
|
artikel
|
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