Volume 10; Issue 35

Physical Chemistry Chemical Physics

Volume 10; Issue 35

1

The o-, m-, and p-benzyne radical cations: a theoretical study

Li, Hua, Huang, Ming-Bao

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 166 KB

english, 2008

2

Linewidths of C2H2 perturbed by H2: experiments and calculations from an ab initio potential

Thibault, Franck, Corretja, Benoît, Viel, Alexandra, Bermejo, Dionisio, Martínez, Raúl Z., Bussery-Honvault, Béatrice

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 339 KB

english, 2008

3

The intermolecular potentials of the O2–O2 dimer: a detailed ab initio study of the energy splittings for the three lowest multiplet states

Bartolomei, Massimiliano, Hernández, Marta I., Campos-Martínez, José, Carmona-Novillo, Estela, Hernández-Lamoneda, Ramón

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 160 KB

english, 2008

4

A theoretical study of conformational aspects and energy transfer between terthiophene and quinquethiophene in perhydrotriphenylene inclusion compounds

Vásquez, Sergio O.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 338 KB

english, 2008

5

Hydrogen dissociative chemisorption and desorption on saturated subnano palladium clusters (Pdn, n = 2–9)

Zhou, Chenggang, Yao, Shujuan, Wu, Jinping, Forrey, Robert C., Chen, Liang, Tachibana, Akitomo, Cheng, Hansong

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 613 KB

english, 2008

6

Spectroscopic evidence of thermally induced metamorphosis in ethenylene-bridged periodic mesoporous organosilicas

Vercaemst, Carl, Jones, James T. A., Khimyak, Yaroslav Z., Martins, José C., Verpoort, Francis, Van Der Voort, Pascal

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 159 KB

english, 2008

7

Experimental and theoretical study of the electronic spectrum of BeAl

Merritt, Jeremy M., Bondybey, Vladimir E., Heaven, Michael C.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 228 KB

english, 2008

8

Quantum algorithm for obtaining the energy spectrum of molecular systems

Wang, Hefeng, Kais, Sabre, Aspuru-Guzik, Alán, Hoffmann, Mark R.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 169 KB

english, 2008

9

A kinetic model for photoswitching of magnetism in the high spin molecule [Mo(iv)(CN)2(CN–Cu(ii)(tren))6](ClO4)8

Raghunathan, Rajamani, Ramasesha, S., Mathonière, Corine, Marvaud, Valérie

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 242 KB

english, 2008

10

A multi-scale method for the calculation of charge transfer rates through the Π-stack of DNA: application to DNA dynamics

Řeha, David, Barford, William, Harris, Sarah

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 538 KB

english, 2008

11

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 631 KB

english, 2008

12

A ground-state-directed optimization scheme for the Kohn–Sham energy

Høst, Stinne, Jansík, Branislav, Olsen, Jeppe, Jørgensen, Poul, Reine, Simen, Helgaker, Trygve

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 184 KB

english, 2008

13

Angular dependence of rotational and vibrational energies of product CO2 in CO oxidation on Pd(110)

Yamanaka, Toshiro

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 376 KB

english, 2008

14

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 631 KB

english, 2008

15

Freeze–thaw behaviour of aqueous glucose solutions—the crystallisation of cubic ice

Thanatuksorn, Pariya, Kajiwara, Kazuhito, Murase, Norio, Franks, Felix

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 516 KB

english, 2008

16

Contents and Chemical Science

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 2.65 MB

english, 2008

17

The observation of high order overtones and combinations in the SERRS spectra of a perylene dye spin coated onto silver island films

Rubim, Joel C., Aroca, Ricardo F.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 324 KB

english, 2008

18

Theoretical study on oligothiophene N-succinimidyl esters: size and push–pull effects

Piacenza, M., Zambianchi, M., Barbarella, G., Gigli, G., Della Sala, F.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 365 KB

english, 2008

19

Structure and function of oxide nanostructures: catalytic consequences of size and composition

Macht, Josef, Iglesia, Enrique

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 532 KB

english, 2008

20

Structure, spectrum and decomposition of the doubly charged ion C2N2++

Hochlaf, M., Eland, J. H. D.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 398 KB

english, 2008

21

Calculation of local excitations in large systems by embedding wave-function theory in density-functional theory

Gomes, André Severo Pereira, Jacob, Christoph R., Visscher, Lucas

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 219 KB

english, 2008

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