Chemical Physics

1

Triptycene-modified linkers of MOFs for methane sorption enhancement: A molecular simulation study

Volkova, Evgeniya I., Vakhrushev, Alexander V., Suyetin, Mikhail

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.86 MB

english, 2015

2

Investigation of oxygen vibrational relaxation by quasi-classical trajectory method

Andrienko, Daniil, Boyd, Iain D.

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.39 MB

english, 2015

3

The binding of small carbazole derivative (P7C3) to protofibrils of the Alzheimer’s disease and β-secretase: Molecular dynamics simulation studies

Faghih, Zeinab, Fereidoonnezhad, Masood, Tabaei, S. Mohammad Hossein, Rezaei, Zahra, Zolghadr, Amin Reza

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.58 MB

english, 2015

4

Long range electron transfer reactions in solution: An analytically solvable model

Diwaker,, Chakraborty, Aniruddha

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 309 KB

english, 2015

5

Formation and annihilation of positronium in silica aerogels under atmosphere of oxygen and nitrogen mixture

Zhou, Yawei, Mao, Wenfeng, Li, Qichao, Wang, Juncheng, He, Chunqing

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 721 KB

english, 2015

6

The chemistry of Coulomb blockade diamonds for 1,4-diamino-benzene

Olsen, Stine T., Hansen, Thorsten, Kongsted, Jacob, Mikkelsen, Kurt V.

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.15 MB

english, 2015

7

Effect of the band structure of the electrodes on the non-adiabatic electron tunneling through a one-level redox molecule

Medvedev, Igor G.

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1002 KB

english, 2015

8

Multireference configuration interaction study of dichlorocarbene

Sun, Erping, Ren, Tingqi, Shan, Shimin, Liu, Qixin, Xu, Haifeng, Yan, Bing

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 515 KB

english, 2015

9

p-N,N′-tetraacetylodiaminodurene. The structure and vibrational spectra

Bator, G., Rok, M., Sawka-Dobrowolska, W., Sobczyk, L., Zamponi, M., Pawlukojć, A.

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.46 MB

english, 2015

10

Different dynamic behaviors of the dissociation and recombination reactions in a model calculation of polyethylene by first-principles steered molecular dynamics simulation

Higuchi, Yuji, Ishikawa, Takeshi, Ozawa, Nobuki, Chazeau, Laurent, Cavaillé, Jean-Yves, Kubo, Momoji

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 886 KB

english, 2015

11

Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH3)4

Maldonado, Alejandro F., Aucar, Gustavo A.

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 377 KB

english, 2015

12

IFC (Editorial Board)

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 31 KB

english, 2015

13

Molecular motion in phases II and III of CsHSO4 by static NMR and MAS NMR

Lim, Ae Ran, Hyung, Minsurk

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.09 MB

english, 2015

14

Analysis of librational modes of ice XI studied by Car–Parrinello molecular dynamics

Gług, Maciej, Boczar, Marek, Boda, Łukasz, Wójcik, Marek J.

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.21 MB

english, 2015

15

Off-center instability of Nb5+ in KNbO3 under ambient pressure

Polinger, Victor

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 822 KB

english, 2015

16

Ion assisted structural collapse of a single stranded DNA: A molecular dynamics approach

Ghosh, Soumadwip, Dixit, Himanshu, Chakrabarti, Rajarshi

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.77 MB

english, 2015

17

Volume 459

Triptycene-modified linkers of MOFs for methane sorption enhancement: A molecular simulation study

Investigation of oxygen vibrational relaxation by quasi-classical trajectory method

The binding of small carbazole derivative (P7C3) to protofibrils of the Alzheimer’s disease and β-secretase: Molecular dynamics simulation studies

Long range electron transfer reactions in solution: An analytically solvable model

Formation and annihilation of positronium in silica aerogels under atmosphere of oxygen and nitrogen mixture

The chemistry of Coulomb blockade diamonds for 1,4-diamino-benzene

Effect of the band structure of the electrodes on the non-adiabatic electron tunneling through a one-level redox molecule

Multireference configuration interaction study of dichlorocarbene

p-N,N′-tetraacetylodiaminodurene. The structure and vibrational spectra

Different dynamic behaviors of the dissociation and recombination reactions in a model calculation of polyethylene by first-principles steered molecular dynamics simulation

Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH3)4

IFC (Editorial Board)

Molecular motion in phases II and III of CsHSO4 by static NMR and MAS NMR

Analysis of librational modes of ice XI studied by Car–Parrinello molecular dynamics

Off-center instability of Nb5+ in KNbO3 under ambient pressure

Ion assisted structural collapse of a single stranded DNA: A molecular dynamics approach

Contents