Physical Chemistry Chemical Physics

1

Direct observation of size dependent activation of NO on gold clusters

Fielicke, André, Helden, Gert von, Meijer, Gerard, Simard, Benoit, Rayner, David M.

Journal:

Year:

2005

Language:

english

File:

PDF, 634 KB

english, 2005

2

Ab initio study of temporary anions of benzene and fluorobenzenes using the multipartitioning many-body perturbation theory

Izmaylov, Artur F., Shchegoleva, Lyudmila N., Scuseria, Gustavo E., Zaitsevskii, Andréi

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 553 KB

english, 2005

3

Energy dissipation in slipping biological pumps

Kjelstrup, Signe, Miguel Rubi, J., Bedeaux, Dick

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 614 KB

english, 2005

4

Multireference calculations of the fluorescence, phosphorescence and photodissociation of p-chlorotoluene

Liu, Ya-Jun, Lunell, Sten

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 575 KB

english, 2005

5

Identification of possible Lewis acid sites on the β-AlF3(100) surface: an ab initio total energy study

Wander, Adrian, Bailey, Christine L., Searle, Barry G., Mukhopadhyay, Sanghamitra, Harrison, Nicholas M.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 717 KB

english, 2005

6

Bending effect on the stabilities of quadruple hydrogen bonding systems: theoretical study of a series of self-constituted quadruple hydrogen bonded complexes (C9H9N5O2)2

Liu, Wen-Lan, Chen, Guang-Ju

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 559 KB

english, 2005

7

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2005

File:

PDF, 638 KB

2005

8

Ultrafast dynamics of excess electrons in molten salts: Part II. Femtosecond investigations of Na–NaBr and Na–NaI melts

Brands, H., Chandrasekhar, N., Hippler, H., Unterreiner, A.-N.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 673 KB

english, 2005

9

Parallel tempering: Theory, applications, and new perspectives

Earl, David J., Deem, Michael W.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 587 KB

english, 2005

10

Theoretical maximal storage of hydrogen in zeolitic frameworks

Vitillo, Jenny G., Ricchiardi, Gabriele, Spoto, Giuseppe, Zecchina, Adriano

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 731 KB

english, 2005

11

Reverse hydrogen spillover in supported subnanosize clusters of the metals of groups 8 to 11. A computational model study

Vayssilov, Georgi N., Rösch, Notker

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 665 KB

english, 2005

12

Missing levels lead to additional lines: the influence of nuclear spin statistics on femtosecond degenerate four wave mixing spectroscopy of polyatomic systems

Riehn, C., Kunitski, M. I., Matylitsky, V. V., Gelin, M. F., Brutschy, B.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 657 KB

english, 2005

13

A short-range gradient-corrected density functional in long-range coupled-cluster calculations for rare gas dimers

Goll, Erich, Werner, Hans-Joachim, Stoll, Hermann

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 593 KB

english, 2005

14

Uptake of Fe, Na and K atoms on low-temperature ice: implications for metal atom scavenging in the vicinity of polar mesospheric clouds

Murray, Benjamin J., Plane, John M. C.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 755 KB

english, 2005

15

Binding of a chiral drug to a protein: an investigation of the 2-(3-benzoylphenyl)propionic acid/bovine serum albumin system by circular dichroism and fluorescence

Monti, Sandra, Manoli, Francesco, Sortino, Salvatore, Morrone, Raffaele, Nicolosi, Giovanni

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 632 KB

english, 2005

16

Mechanistic and kinetic study of the O + CH3OCH2 reaction and the unimolecular decomposition of CH3OCH2O

Song, Xinli, Hou, Hua, Wang, Baoshan

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 897 KB

english, 2005

17

Adsorption of triblock copolymers and their homopolymers at laponite clay/solution interface. Role played by the copolymer nature

De Lisi, R., Lazzara, G., Lombardo, R., Milioto, S., Muratore, N., Turco Liveri, M. L.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 615 KB

english, 2005

18

Ab initio calculation of electronic absorption spectra and ionization potentials of C3H3 radicals

Eisfeld, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 754 KB

english, 2005

19

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2005

File:

PDF, 422 KB

2005

Volume 7; Issue 23

Direct observation of size dependent activation of NO on gold clusters

Ab initio study of temporary anions of benzene and fluorobenzenes using the multipartitioning many-body perturbation theory

Energy dissipation in slipping biological pumps

Multireference calculations of the fluorescence, phosphorescence and photodissociation of p-chlorotoluene

Identification of possible Lewis acid sites on the β-AlF3(100) surface: an ab initio total energy study

Bending effect on the stabilities of quadruple hydrogen bonding systems: theoretical study of a series of self-constituted quadruple hydrogen bonded complexes (C9H9N5O2)2

Front cover

Ultrafast dynamics of excess electrons in molten salts: Part II. Femtosecond investigations of Na–NaBr and Na–NaI melts

Parallel tempering: Theory, applications, and new perspectives

Theoretical maximal storage of hydrogen in zeolitic frameworks

Reverse hydrogen spillover in supported subnanosize clusters of the metals of groups 8 to 11. A computational model study

Missing levels lead to additional lines: the influence of nuclear spin statistics on femtosecond degenerate four wave mixing spectroscopy of polyatomic systems

A short-range gradient-corrected density functional in long-range coupled-cluster calculations for rare gas dimers

Uptake of Fe, Na and K atoms on low-temperature ice: implications for metal atom scavenging in the vicinity of polar mesospheric clouds

Binding of a chiral drug to a protein: an investigation of the 2-(3-benzoylphenyl)propionic acid/bovine serum albumin system by circular dichroism and fluorescence

Mechanistic and kinetic study of the O + CH3OCH2 reaction and the unimolecular decomposition of CH3OCH2O

Adsorption of triblock copolymers and their homopolymers at laponite clay/solution interface. Role played by the copolymer nature

Ab initio calculation of electronic absorption spectra and ionization potentials of C3H3 radicals

Contents

Back cover