Chemical Physics

1

Investigation of the stability of platinum clusters and the adsorption of nitrogen monoxide: First principles calculations

Hamad, Bothina, El-Bayyari, Zuheir, Marashdeh, Ali

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.38 MB

english, 2014

2

L-glutamine: Dynamical properties investigation by means of INS, IR, RAMAN, 1H NMR and DFT techniques

Pawlukojć, A., Hołderna-Natkaniec, K., Bator, G., Natkaniec, I.

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.17 MB

english, 2014

3

Multireference configuration interaction study on the potential energy curves and radiative lifetimes of low-lying excited states of CdH+ cation

Zhang, Xiaomei, Liang, Guiying, Li, Rui, Shi, Dandan, Liu, Yuchen, Liu, Xueshen, Xu, Haifeng, Yan, Bing

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 604 KB

english, 2014

4

Theoretical estimation of pnicogen bonds and hydrogen bonds in small heterocyclic complexes: Red-shifts and blue-shifts ruled by polarization effects

Oliveira, Boaz G.

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.11 MB

english, 2014

5

A post-collision internal energy model for O(3P)+SO2(X

Parsons, Neal, Levin, Deborah A.

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 765 KB

english, 2014

6

Polymers’ surface interactions with molten iron: A theoretical study

Assadi, M. Hussein N., Sahajwalla, Veena

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 850 KB

english, 2014

7

Spin–spin coupling in the HD molecule determined from 1H and 2H NMR experiments in the gas-phase

Garbacz, Piotr

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.14 MB

english, 2014

8

Density functional theory study of neutral and singly-charged (NaBH4)n (n=1–6) nanoclusters

Yang, Yongpeng, Wu, Xiangming, Liu, Chuan, Huang, Shiping

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.76 MB

english, 2014

9

Incorporation of the TIP4P water model into a continuum solvent for computing solvation free energy

Yang, Pei-Kun

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

10

Structures and energetics of BenCn (n=1–5) and Be2nCn (n=1–4) clusters

Fioressi, Silvina E., Binning, R.C., Bacelo, Daniel E.

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.27 MB

english, 2014

11

Reading fitness landscape diagrams through HSAB concepts

Vigneresse, Jean-Louis

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 696 KB

english, 2014

12

DFT study of reaction processes of methane combustion on PdO(100)

Dianat, Arezoo, Seriani, Nicola, Ciacchi, Lucio Colombi, Bobeth, Manfred, Cuniberti, Gianaurelio

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.65 MB

english, 2014

13

OH formation dynamics in 193nm photolysis of 2-methoxyethanol: A laser induced fluorescence study

SenGupta, Sumana, Upadhyaya, Hari P., Kumar, Awadhesh, Naik, Prakash D.

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.52 MB

english, 2014

14

Mechanistic insights into osmolyte action in protein stabilization under harsh conditions: N-methylacetamide in glycine betaine–urea mixture

Kumar, Narendra, Kishore, Nand

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 829 KB

english, 2014

15

Photodissociation dynamics of 2-chloro-6-nitrotoluene and nitrocyclopentane in gas phase: Laser-induced fluorescence detection of OH

Kawade, Monali N., Saha, Ankur, Upadhyaya, Hari P., Kumar, Awadhesh, Naik, Prakash D.

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.07 MB

english, 2014

16

Solvation structure and dynamics of Ni2+(aq) from a polarizable force field

Mareš, Jiří, Vaara, Juha

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1009 KB

english, 2014

17

Adsorption and electronic states of morin on TiO2 nanoparticles

Zdyb, Agata, Krawczyk, Stanisław

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 381 KB

english, 2014

18

IFC (Editorial Board)

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 31 KB

english, 2014

19

Volume 443

Investigation of the stability of platinum clusters and the adsorption of nitrogen monoxide: First principles calculations

L-glutamine: Dynamical properties investigation by means of INS, IR, RAMAN, 1H NMR and DFT techniques

Multireference configuration interaction study on the potential energy curves and radiative lifetimes of low-lying excited states of CdH+ cation

Theoretical estimation of pnicogen bonds and hydrogen bonds in small heterocyclic complexes: Red-shifts and blue-shifts ruled by polarization effects

A post-collision internal energy model for O(3P)+SO2(X

Polymers’ surface interactions with molten iron: A theoretical study

Spin–spin coupling in the HD molecule determined from 1H and 2H NMR experiments in the gas-phase

Density functional theory study of neutral and singly-charged (NaBH4)n (n=1–6) nanoclusters

Incorporation of the TIP4P water model into a continuum solvent for computing solvation free energy

Structures and energetics of BenCn (n=1–5) and Be2nCn (n=1–4) clusters

Reading fitness landscape diagrams through HSAB concepts

DFT study of reaction processes of methane combustion on PdO(100)

OH formation dynamics in 193nm photolysis of 2-methoxyethanol: A laser induced fluorescence study

Mechanistic insights into osmolyte action in protein stabilization under harsh conditions: N-methylacetamide in glycine betaine–urea mixture

Photodissociation dynamics of 2-chloro-6-nitrotoluene and nitrocyclopentane in gas phase: Laser-induced fluorescence detection of OH

Solvation structure and dynamics of Ni2+(aq) from a polarizable force field

Adsorption and electronic states of morin on TiO2 nanoparticles

IFC (Editorial Board)

Contents