Volume 3; Issue 19

Physical Chemistry Chemical Physics

Volume 3; Issue 19

1

Prediction of thermodynamic derivative properties of fluids by Monte Carlo simulation

Lagache, M., Ungerer, P., Boutin, A., Fuchs, A. H.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 188 KB

english, 2001

2

Electrostatic potential inside ionic solutions confined by dielectrics: a variational approach

Allen, Rosalind, Hansen, Jean-Pierre, Melchionna, Simone

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 266 KB

english, 2001

3

FTIR study of adsorption, thermal reactions and photochemistry of benzene on powdered TiO2

Wu, Wen-Chun, Liao, Li-Fen, Lien, Chen-Fu, Lin, Jong-Liang

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 163 KB

english, 2001

4

Molecular structure of cis-1-chloro-2-fluoroethylene from ab initio calculations and microwave spectroscopy

Puzzarini, Cristina, Cazzoli, Gabriele, Dore, Luca, Gambi, Alberto

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 122 KB

english, 2001

5

Anhydrous zirconium(IV) sulfate and tin(IV) sulfate: solid Lewis acid catalysts in liquid-phase hydro-acyloxy-addition reactions?

Dijs, Ivo J., de Koning, Roene, Geus, John W., Jenneskens, Leonardus W.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 272 KB

english, 2001

6

Protonation energies and the Laplacian of the electron density: A critical examination

Popelier, Paul L. A., Smith, Paul J.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 137 KB

english, 2001

7

Laser spectroscopy of YBr: rotational analysis of the C1Σ–X1Σ system

W-H. Leung, J., Dai, Jinghua, Wang, Xianghuai, S-C. Cheung, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 102 KB

english, 2001

8

High-resolution FTIR study of the ν2 fundamental of cis-CHF=CHF

Visinoni, R., Giorgianni, S., Baldan, A., Nivellini, G.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 170 KB

english, 2001

9

Molecular design for squaraines with large positive or negative third-order optical nonlinearity

Yang, Mingli, Jiang, Yuansheng

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 108 KB

english, 2001

10

An EPR and ENDOR study of quartet state nitrogen atoms trapped in irradiated NaN3 powder

Itagaki, Yoshiteru, Nomura, Ko-Taro, Shiotani, Masaru, Lund, Anders

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 150 KB

english, 2001

11

Millimeter-wave spectroscopy, high resolution infrared spectrum, ab initio calculations, and molecular geometry of FPO

Beckers, H., Bürger, H., Paplewski, P., Bogey, M., Demaison, J., Dre′an, P., Walters, A., Breidung, J., Thiel, W.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 234 KB

english, 2001

12

Thermal, electrochemical and structural properties of stabilized LiNiyCo1-y-zMzO2 lithium-ion cathode material prepared by a chemical route

D'Epifanio, A., Croce, F., Ronci, F., Rossi Albertini, V., Traversa, E., Scrosati, B.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 393 KB

english, 2001

13

Effect of DNA on the rate of electron transfer reactions between non-intercalated reactants: kinetic study of the reactions [Ru(NH3)5pz]2++[Co(C2O4)3]3- and [Ru(NH3)5py]2+ +[Co(NH3)4pzCO2]2+ in aqueous solutions in the presence of DNA

Secco, F., Venturini, M., López, M., Pe′rez, P., Prado, R., Sánchez, F.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 138 KB

english, 2001

14

Structured water around ions — FTIR difference spectroscopy and quantum-mechanical calculations

Fischer, Wolfgang B., Fedorowicz, Adam, Koll, Aleksander

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 167 KB

english, 2001

15

Evidence of orbital mixing for KrXe and ArXe excited states in the vacuum ultraviolet

Mao, D. M., Hu, X. K., Shi, Y. J., Lipson, R. H.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 112 KB

english, 2001

16

Aggregation of alkane and fluoroalkane clusters: molecular dynamics simulation results

Friedemann, Rudolf, Naumann, Stefan, Brickmann, Jürgen

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 316 KB

english, 2001

17

Binodal and spinodal curves of an L3 (sponge) phase

Le, T. D., Olsson, U., Wennerström, H., Uhrmeister, P., Rathke, B., Strey, R.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 249 KB

english, 2001

18

Evaporation after ionization in molecular clusters: application to 1-naphthol–(NH3)n

Dedonder-Lardeux, C., Grosswasser, D., Jouvet, C., Martrenchard, S., Teahu, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 224 KB

english, 2001

19

H2-reduction of Pt/MoO3 to MoOx with a large surface area and its catalytic activities for the conversions of heptane and propan-2-ol

Matsuda, Takeshi, Uchijima, Fumiko, Sakagami, Hirotoshi, Takahashi, Nobuo

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 206 KB

english, 2001

20

Theoretical study of the photodissociation dynamics of ClOOCl

Toniolo, Alessandro, Granucci, Giovanni, Inglese, Silvia, Persico, Maurizio

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 498 KB

english, 2001

21

Ab initio and kinetic calculations for the reactions of H with SiH(4-n)Fn (n=1–3)

Zhang, Qingzhu, Wang, Shaokun, Wang, Chunsheng, Gu, Yueshu

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 155 KB

english, 2001

22

Long-range spherical potential energy function from the second virial coefficient using decomposition into subspaces

Braga, J. P., Neves, J. L.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 119 KB

english, 2001

23

Electrochemistry of Co–Ru hetero-dinuclear porphyrin complex in a Nafion matrix

Imaoka, Takane, Yamamoto, Kimihisa

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 181 KB

english, 2001

24

Separation of linear, mono-methyl and di-methyl alkanes in the 5–7 carbon atom range by exploiting configurational entropy effects during sorption on silicalite-1

Calero, S., Smit, B., Krishna, R.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 285 KB

english, 2001

25

QENS and FTIR studies on binding states of benzene molecules adsorbed in zeolite HZSM-5 at room temperature

Tripathi, A. K., Sahasrabudhe, A., Mitra, S., Mukhopadhyay, R., Gupta, N. M., Kartha, V. B.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 201 KB

english, 2001

26

Multicomponent diffusion in systems containing molecules of different size. Part 3. Mutual diffusion in the ternary system hexa(ethylene glycol)–di(ethylene glycol)–water

Vergara, Alessandro, Paduano, Luigi, Sartorio, Roberto

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 136 KB

english, 2001

27

Description of electrolyte effects on the kinetics of reactions between ions in solution, using the mean spherical approximation

Simonin, Jean-Pierre, Hendrawan, Hendrawan

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 189 KB

english, 2001

28

Formation of several types of coordination complexes upon CO adsorption on the zeolite Li-ZSM-5

Otero Areán, C., Manoilova, O. V., Rodríguez Delgado, M., Tsyganenko, A. A., Garrone, E.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 120 KB

english, 2001

29

Coadsorption of the complementary base pair adenine–thymine at the mercury/electrolyte interface

Kirste, S., Donner, C.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 132 KB

english, 2001

30

Fast dimerisation of the triparaquat radical dication

Vuckovic, M., Mentus, S. V., Janata, E., Milosavljevic, B. H.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 228 KB

english, 2001

31

The proton affinities of CO and CO2 and the first hydration energy of gaseous H3O+ from mass spectrometric investigations of ions in rich flames of C2H2

Hayhurst, Allan N., Taylor, Stephen G.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 286 KB

english, 2001

32

The influence of square planar platinum complexes on DNA base pairing. An ab initio DFT study

Burda, Jaroslav V., Šponer, Jiří, Leszczynski, Jerzy

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 189 KB

english, 2001

33

Determination of the structures of benzotriazole(H2O)1,2 clusters by IR–UV spectroscopy and ab initio theory

Schmitt, M., Plützer, Ch., Kleinermanns, K.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 281 KB

english, 2001

34

Conformational isomerism in methyl cyanoacetate: A combined matrix-isolation infrared spectroscopy and molecular orbital study

Reva, Igor D., Ilieva, Sonia V., Fausto, Rui

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 230 KB

english, 2001

35

Diblock polyampholytes at the silicon/water interface: Adsorption at various modified silicon substrates

Mahltig, Boris, Je′rôme, Robert, Stamm, Manfred

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 172 KB

english, 2001

36

FTIR study of the photo-induced reaction of NO+CO on Rh/TiO2

Raskó, J., Szabó, Z., Bánsági, T., Solymosi, F.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 197 KB

english, 2001

37

Direct dynamics simulations of the oxidation of a single wall carbon nanotube

Mann, David J., Hase, William L.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 390 KB

english, 2001

38

Site dilution of two-dimensional honeycomb molecular ferrimagnets AFeIIFeIII(C2O4)3 (A=(n-C4H9)N, P(C6H5)4)

Watts, Ian D., Carling, Simon G., Day, Peter

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 149 KB

english, 2001

39

Shock tube combustion of liquid hydrocarbon sprays of toluene

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 196 KB

english, 2001

40

Hydrogen bonding and the dipole moment of hydrofluorocarbons by density functional theory

Costa Cabral, Benedito J., Guedes, Rita C., Pai-Panandiker, Rahool S., Nieto de Castro, Carlos A.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 250 KB

english, 2001

41

High temperature reaction of Sn(3P0) atoms with O2 based on Sn- and O-concentration measurements

Takahashi, Kazuo, Giesen, Andreas, Roth, Paul

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 133 KB

english, 2001

42

The effect of anionic, cationic and neutral surfactants on the photophysics and isomerization of 3,3′-diethylthiacarbocyanine

Vinogradov, Alexander M., Tatikolov, Alexander S., Costa, Sílvia M. B.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 326 KB

english, 2001

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