Пожертвування 15 вересня 2024 – 1 жовтня 2024 Про збір коштів

Volume 4; Issue 18

Physical Chemistry Chemical Physics

Volume 4; Issue 18

1

Study on the mechanism of partial oxidation of methane to synthesis gas over molybdenum carbide catalyst

Nishizaka, Yukiko, Green, Malcolm L. H., Xiao, Tian-cun, Hanif, Ahmad, York, Andrew P. E.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 330 KB

english, 2002

2

Calculation of aqueous dissociation constants of 1,2,4-triazole and tetrazole: A comparison of solvation modelsElectronic supplementary information (ESI) available: Calculated coordinates, atomic radii and charges of 1,2,4��triazole and tetrazole. See http://www.rsc.org/suppdata/cp/b2/b203118c/

Satchell, Jacqueline F., Smith, Brian J.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 136 KB

english, 2002

3

A fully direct RI-HF algorithm: Implementation, optimised auxiliary basis sets, demonstration of accuracy and efficiency

Weigend, Florian

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 155 KB

english, 2002

4

Second virial coefficients of fluorinated methanes CH4???xFx (x???=???0???4) and their binary mixturesElectronic supplementary information (ESI) available: Tables of experimental conditions and results. See http://www.rsc.org/suppdata/cp/b2/b204839f/

Lamp, Joachim A., Schramm, Bernhard F., Saad, Shokry M., El-Geubeily, Samia A.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 273 KB

english, 2002

5

Conformation and orientation of alkyl chains in the layered organic???inorganic hybrids: (CnH2n+1NH3)2PbI4 (n???=???12,16,18)

Venkataraman, N. V., Bhagyalakshmi, S., Vasudevan, S., Seshadri, Ram

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 352 KB

english, 2002

6

Shock wave study of the unimolecular dissociation of H2O2 in its falloff range and of its secondary reactions

Kappel, Ch., Luther, K., Troe, J.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 209 KB

english, 2002

7

Structure and stability of fluoronitrile oxide, FCNO: A quantum-chemical study

Pasinszki, Tibor, Westwood, Nicholas P. C.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 297 KB

english, 2002

8

MSA-NRTL model for the description of the thermodynamic properties of electrolyte solutions

Papaiconomou, N., Simonin, J.-P., Bernard, O., Kunz, W.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 200 KB

english, 2002

9

Photochromism and solvatochromism of push???pull or pull???push spiroindolinenaphthoxazinesElectronic supplementary information (ESI) available: Analysis of products 12, 13, 14 and 17 absorbance of solutions of 2. See http://www.rsc.org/suppdata/b2/b204603b/

Metelitsa, A. V., Lokshin, V., Micheau, J. C., Samat, A., Guglielmetti, R., Minkin, V. I.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 161 KB

english, 2002

10

Prediction of the vapor???liquid phase equilibrium of hydrogen sulfide and the binary system water???hydrogen sulfide by molecular simulation

Vorholz, Johannes, Rumpf, Bernd, Maurer, Gerd

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 296 KB

english, 2002

11

Spectroscopic and chemical characterization of active and inactive Cu species in NO decomposition catalysts based on Cu-ZSM5

Da Costa, Patrick, Mod??n, Bj??rn, Meitzner, George D., Lee, Deuk Ki, Iglesia, Enrique

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 367 KB

english, 2002

12

Photophysical study of 5-substituted benzofurazan compounds as fluorogenic probes

Uchiyama, Seiichi, Takehira, Kazuyuki, Kohtani, Shigeru, Santa, Tomofumi, Nakagaki, Ryoichi, Tobita, Seiji, Imai, Kazuhiro

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 259 KB

english, 2002

13

FTIR study of adsorption and photochemistry of amide on powdered TiO2: Comparison of benzamide with acetamide

Liao, L.-F., Lien, C.-F., Shieh, D.-L., Chen, F.-C., Lin, J.-L.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 175 KB

english, 2002

14

Gallium(iii) hydration in aqueous solution of perchlorate, nitrate and sulfate. Raman and 71-Ga NMR spectroscopic studies and ab initio molecular orbital calculations of gallium(iii) water clustersElectronic supplementary information (ESI) available: Unscaled HF/6-31+G* frequencies, intensities and force constants of the hexaaqua-Ga(iii) ion, octadeca-aqua gallium(iii) and octadeca-aqua gallium(iii) cluster. See http://www.rsc.org/suppdata/cp/b2/b202567c/

Rudolph, Wolfram W., Pye, Cory C.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 381 KB

english, 2002

15

High pressure solid???liquid phase equilibria in synthetic waxes

Daridon, J. L., Pauly, J., Milhet, M.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 173 KB

english, 2002

16

Collisional energy transfer in CH3 radical decomposition???experiment versus theory

Goos, E., Hippler, H., Kachiani, C., Svedung, H.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 200 KB

english, 2002

17

A laser trapping-spectroscopy study on the photocyanation of perylene across a single micrometre-sized oil droplets/water interface: droplet-size effects on photoreaction quantum yield

Kitagawa, Fumihiko, Kitamura, Noboru

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 226 KB

english, 2002

18

Aqueous solutions of some amphiphilic poly(ethylene oxide)???poly(propylene oxide)???poly(ethylene oxide) triblock copolymers. A thermodynamic study over a wide concentration range at temperatures between 288.15 and 328.15 KElectronic supplementary information (ESI) available: Properties of pluronics in aqueous solutions at different temperatures. See http://www.rsc.org/suppdata/cp/b2/b204404h/

Senkow, St??phanie, Mehta, Surinder K., Douh??ret, G??rard, Roux, Alain H., Roux-Desgranges, Genevi??ve

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 781 KB

english, 2002

19

Molar volume of 6Li, 7Li and natural Li in the liquid state

Shimizu, Yuta, Mizuno, Akitoshi, Masaki, Tadahiko, Itami, Toshio

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 184 KB

english, 2002

20

DFT study of the rate constants of the reactions CHClmF3???m???+???Cl???=???CClmF3???m???+???HCl (m???=???3?????????1)Electronic supplementary information (ESI) available: Tables of data (Tables S1???S4). See http://www.rsc.org/suppdata/cp/b2/b206133n/

Li, Qian Shu, Wang, Chao Yang

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 339 KB

english, 2002

21

A disjoining pressure study of n-dodecyl-??-D-maltoside foam films

Stubenrauch, Cosima, Schlarmann, Judith, Strey, Reinhard

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 231 KB

english, 2002

22

OH-initiated oxidation of benzene

Klotz, Bj??rn, Volkamer, Rainer, Hurley, Michael D., Andersen, Mads P. Sulbaek, Nielsen, Ole John, Barnes, Ian, Imamura, Takashi, Wirtz, Klaus, Becker, Karl-Heinz, Platt, Ulrich, Wallington, Timothy J

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 309 KB

english, 2002

23

A quasiclassical trajectory and quantum mechanical study of the O(1D)???+???D2 reaction dynamics. Comparison with high resolution molecular beam experiments

Aoiz, F. J., Ba??ares, L., Castillo, J. F., Herrero, V. J., Mart??nez-Haya, B.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 287 KB

english, 2002

24

Phase transition in swollen gels

Fomenko, A., Posp????il, H., Sedl??kov??, Z., Ple??til, J., Ilavsk??, M.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 229 KB

english, 2002

25

Intramolecular charge-transfer properties of a molecule with a large donor group: the case of 4???-(pyren-1-yl)benzonitrile

Dobkowski, J., Rettig, W., Waluk, J.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 160 KB

english, 2002

26

Mechanical response of some peculiar superionic glasses at ultrasonic frequenciesPresented at the Bunsen Discussion on Ionic Motion in Materials with Disordered Structures, M??nster, Germany, 10???12 October, 2001.

Cutroni, Maria, Mandanici, Andrea, Bruno, Ezio

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 126 KB

english, 2002

27

Novel SiO2-attached molecular-imprinting Rh-monomer catalysts for shape-selective hydrogenation of alkenes; preparation, characterization and performance

Tada, Mizuki, Sasaki, Takehiko, Iwasawa, Yasuhiro

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 603 KB

english, 2002

28

Pyrolysis of organotin compounds: A preparative method for nanometric tin dioxide powders

Pereira, A. G., Porto, A. O., Silva, G. G., de Lima, G. M., Siebald, H. G. L., Neto, J. L.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 533 KB

english, 2002

29

In situ solid state NMR observation of the methanol-to-hydrocarbons (MTH) process over nanosized and microsized HZSM-5 zeolites

Yan, Zhimin, Ma, Ding, Zhuang, Jianqin, Liu, Xianchun, Liu, Xiumei, Han, Xiuwen, Bao, Xinhe

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 176 KB

english, 2002

30

Mechanisms of charge carrier generation in polycrystalline DNA fibers

Starikov, Evgeni B.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 125 KB

english, 2002

31

Optically induced birefringence in a series of analogous diols

B??aszczak, Zdzis??aw, Iwaszkiewicz-Kostka, Iwona, Andrzejewska, Ewa, Ha??as, Marek, Andrzejewski, Maciej

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 106 KB

english, 2002

32

Matrix infrared spectra and ab initio calculations of the acetylene complexes with nitric and nitrous acids

Krajewska, Magdalena, Olbert-Majkut, Adriana, Mielke, Zofia

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 243 KB

english, 2002

33

Temperature dependence of isotope fractionation in N2O photolysis

Kaiser, Jan, R??ckmann, Thomas, Brenninkmeijer, Carl A. M.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 302 KB

english, 2002

34

An FTIR study of the accessibility of the protonic sites of H-mordenites

Bevilacqua, Maria, Alejandre, A??da Guti??rrez, Resini, Carlo, Casagrande, Manuela, Ramirez, Jorge, Busca, Guido

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 524 KB

english, 2002

35

Computational studies of gas???carbon nanotube collision dynamics

Bolton, Kim, Ros??n, Arne

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 361 KB

english, 2002

36

Computational determination of the enthalpy of formation of alkylthial S-oxides and alkylthione S-oxides: a study of (Z)-propanethial-S-oxide, the lachrymatory factor of the onion (Allium cepa)

Kieninger, Martina, Ventura, Oscar N.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 111 KB

english, 2002

37

The prediction of energies and geometries of hydrogen bonded DNA base-pairs via a topological electrostatic potentialElectronic supplementary information (ESI) available: Comparison of the BSSE corrected interaction energies, geometrical parameters and total interaction energies of the 27 base-pair series. See http://www.rsc.org/suppdata/cp/b2/b204485d/

Joubert, Laurent, Popelier, Paul L. A.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 453 KB

english, 2002

38

Analytical derivatives, ?? bonding and d???s mixing in the ligand field molecular mechanics methodElectronic supplementary information (ESI) available: theoretical background. See http://www.rsc.org/suppdata/cp/b2/b203815c/

Deeth, Robert J., Foulis, David L.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 153 KB

english, 2002

39

One- and two-photon absorption properties of novel multi-branched molecules

Zhou, Xin, Ren, Ai-Min, Feng, Ji-Kang, Liu, Xiao-Juan, Zhang, Junxiang, Liu, Juzheng

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 179 KB

english, 2002

40

Aldol condensation reactions of acetone over alkali-modified vanadium phosphate catalysts

Thomas, Lee, Tanner, Richard, Gill, Philip, Wells, Richard, Bailie, Jillian E., Kelly, Gordon, Jackson, S. David, Hutchings, Graham

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 170 KB

english, 2002

41

Preferential solvation in mixed solvents.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 822 KB

english, 2002

42

Temperature-dependent studies of solvated electrons in liquid water with two and three femtosecond pulse sequences

Hertwig, Andreas, Hippler, Horst, Unterreiner, Andreas-N.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 211 KB

english, 2002

43

Imaging thin films of organic molecules with the scanning tunnelling microscope

Palmer, R. E., Guo, Q.

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 1.28 MB

english, 2002

44

Extraction of gold from alkaline cyanide solution by the tetradecyldimethylbenzylammonium chloride/tri-n-butyl phosphate/n-heptane system based on a microemulsion mechanism

Jiang, Jianzhun, Wang, Xiangyun, Zhou, Weijin, Gao, Hongcheng, Wu, Jinguang

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 191 KB

english, 2002

45

Naphthalene, anthracene and 2,3-benzanthracene in zeolite YElectronic supplementary information (ESI) available: Rietveld refinements. See http://www.rsc.org/suppdata/cp/b2/b202111k/

Baehtz, Carsten, Fuess, Hartmut

Журнал:

Physical Chemistry Chemical Physics

Рік:

2002

Мова:

english

Файл:

PDF, 646 KB

english, 2002