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Volume 485-486
Main
Chemical Physics
Volume 485-486
Chemical Physics
Volume 485-486
1
Crystal and electronic structures of substituted halide perovskites based on density functional calculation and molecular dynamics
Takaba, Hiromitsu
,
Kimura, Shou
,
Alam, Md. Khorshed
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 4.39 MB
Your tags:
english, 2017
2
Global and local aspects of the surface potential landscape for energy level alignment at organic-ZnO interfaces
Stähler, Julia
,
Rinke, Patrick
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.63 MB
Your tags:
english, 2017
3
Internuclear distance R -distribution of high-order harmonic generation from H 2 + and its isotopes
Liu, Hang
,
Castle, Rich-Samuel
,
Feng, Liqiang
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 6.21 MB
Your tags:
english, 2017
4
The influence of molecular pre-orientation on the resonance-enhanced multi-photon ionization dynamics
Zhang, Xiao-Miao
,
Li, Jing-Lun
,
Yu, Jie
,
Cong, Shu-Lin
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.49 MB
Your tags:
english, 2017
5
Surfactant molecules to promote removal of cadmium ions from solid surfaces: A complementary experimental-simulational study
Pacheco-Blas, María del Alba
,
Dominguez, Hector
,
Rivera, Margarita
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.28 MB
Your tags:
english, 2017
6
Study of energy transfer and spectral downshifting in Ce, RE (RE = Nd and Yb) co-doped lanthanum phosphate
Sawala, N.S.
,
Omanwar, S.K.
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.04 MB
Your tags:
english, 2017
7
Density functional and ab initio investigation of S 2 N 2 and (SN) 2
Moon, Jiwon
,
Chae, Myoungju
,
Kim, Joonghan
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.28 MB
Your tags:
english, 2017
8
Reaction mechanisms and kinetics of the elimination processes of 2-chloroethylsilane and derivatives: A DFT study using CTST, RRKM, and BET theories
Shiroudi, Abolfazl
,
Zahedi, Ehsan
,
Oliaey, Ahmad Reza
,
Deleuze, Michael S.
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.93 MB
Your tags:
english, 2017
9
A theoretical study on laser cooling of silicon monofluoride
Xia, Wensha
,
Fu, Mingkai
,
Ma, Haitao
,
Bian, Wensheng
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 551 KB
Your tags:
english, 2017
10
Solvent effects in acid-catalyzed dehydration of the Diels-Alder cycloadduct between 2,5-dimethylfuran and maleic anhydride
Salavati-fard, Taha
,
Caratzoulas, Stavros
,
Doren, Douglas J.
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 514 KB
Your tags:
english, 2017
11
Piezoelectric, elastic, Infrared and Raman behavior of ZnO wurtzite under pressure from periodic DFT calculations
Marana, Naiara Letícia
,
Casassa, Silvia Maria
,
Sambrano, Julio Ricardo
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.63 MB
Your tags:
english, 2017
12
Diffusion effects on the determination of surface catalysis in Inductively Coupled Plasma facility
Viladegut, Alan
,
Düzel, Ümran
,
Chazot, Olivier
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.09 MB
Your tags:
english, 2017
13
Effects of electromagnetic fields on the nonlinear optical properties of asymmetric double quantum well under intense laser field
Yesilgul, U.
,
Sari, H.
,
Ungan, F.
,
Martínez-Orozco, J.C.
,
Restrepo, R.L.
,
Mora-Ramos, M.E.
,
Duque, C.A.
,
Sökmen, I.
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.29 MB
Your tags:
english, 2017
14
State-specific transport properties of partially ionized flows of electronically excited atomic gases
Istomin, V.A.
,
Kustova, E.V.
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 728 KB
Your tags:
english, 2017
15
Calculation of second virial coefficients using ab initio intermolecular pair potentials for F 2 -F 2 and H 2 -F 2 dimers
Van, Tat Pham
,
Deiters, Ulrich K.
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.02 MB
Your tags:
english, 2017
16
Nonadiabatic ab initio molecular dynamics with PME-ONIOM scheme of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5- cis -hexatriene in solution phase
Ohta, Ayumi
,
Kobayashi, Osamu
,
Danielache, Sebastian O.
,
Nanbu, Shinkoh
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 3.59 MB
Your tags:
english, 2017
17
A phenomenological study of yttria-stabilized zirconia at 1300 K with the Green-Kubo formulation and equilibrium molecular dynamics
Valadez Huerta, G.
,
Kelle, A.
,
Kabelac, S.
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.12 MB
Your tags:
english, 2017
18
IFC (Editorial Board)
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 31 KB
Your tags:
english, 2017
19
Contents
Journal:
Chemical Physics
Year:
2017
Language:
english
File:
PDF, 1.46 MB
Your tags:
english, 2017
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