Volume 3; Issue 11

Physical Chemistry Chemical Physics

Volume 3; Issue 11

1

Ab initio calculations of the NMR spectra of [1.1.1]propellane and bicyclo[1.1.1]pentane

Pecul, Magdalena, Dodziuk, Helena, Jaszuński, Michał, Lukin, Oleg, Leszczyński, Jerzy

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 124 KB

english, 2001

2

Steric effects in the photoinduced electron transfer reactions of ruthenium(II)-polypyridine complexes with 2,6-disubstituted phenolate ions

Rajendran, Thangamuthu, Thanasekaran, Pounraj, Rajagopal, Seenivasan, Allen Gnanaraj, George, Srinivasan, Chockalingam, Ramamurthy, Perumal, Venkatachalapathy, Bakathavachalam, Manimaran, Balasubraman

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 146 KB

english, 2001

3

Molecular simulation of hydrogen adsorption in graphitic nanofibres

Cracknell, Roger F.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 377 KB

english, 2001

4

A reinterpretation of the EPR spectra of Cu(II) in zeolites A, Y and ZK4, based on ab initio cluster model calculations

Pierloot, Kristine, Delabie, Annelies, Groothaert, Marijke H., Schoonheydt, Robert A.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 276 KB

english, 2001

5

Luminescence of nanocrystalline ZnS:Pb2+

Bol, Ageeth A., Meijerink, Andries

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 379 KB

english, 2001

6

A density-functional investigation of aluminium(III)–citrate complexes

Aquino, Ade´lia J. A., Tunega, Daniel, Haberhauer, Georg, Gerzabek, Martin H., Lischka, Hans

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 187 KB

english, 2001

7

X, Q and W band electron paramagnetic resonance study of the sorption of NO in Na-A and Na-ZSM-5 zeolites

Rudolf, Thomas, Pöppl, Andreas, Hofbauer, Wulf, Michel, Dieter

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 183 KB

english, 2001

8

The hydrogen-bonded cluster anions Br-···HCCH and I-···HCCH: results of coupled cluster calculations

Botschwina, Peter, Stoll, Hermann

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 198 KB

english, 2001

9

Inhibition of Jahn–Teller cooperative distortion in LiMn2O4 spinel by transition metal ion doping

Capsoni, Doretta, Bini, Marcella, Chiodelli, Gaetano, Massarotti, Vincenzo, Azzoni, Carlo B., Cristina Mozzati, Maria, Comin, Alberto

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 205 KB

english, 2001

10

Factors controlling the deactivation induced by hydrogen-bonding interaction: Steric and electronic effects on dual anisotropic relaxation processes

Sugita, Masaki, Shimada, Tetsuya, Tachibana, Hiroshi, Inoue, Haruo

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 177 KB

english, 2001

11

A study of the reactions of trifluoromethyl sulfur pentafluoride, SF5CF3, with several positive ions of atmospheric interest

Atterbury, C., Kennedy, R. A., Mayhew, C. A., Tuckett, R. P.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 108 KB

english, 2001

12

Time resolved FT EPR study of the decarboxylation following photo-induced electron transfer between α-amino acids and anthraquinone-2,6-disulfonic acid in aqueous solution

Lü, Jian-Ming, Wu, L. M., Geimer, J., Beckert, D.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 184 KB

english, 2001

13

Molecular beam study of N2 dissociation on Ru(0001)

Egeberg, R. C., Larsen, J. H., Chorkendorff, I.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 106 KB

english, 2001

14

Characteristics of cationic phase-transfer catalysts in the oxidation of hydrocarbons by O2

Csányi, László J., Jáky, Károly

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 106 KB

english, 2001

15

Separation of sterols using zeolites

Yu. Berezin, Mikhail, Dzenitis, John M., Mason Hughes, B., Ho, Sa V.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 232 KB

english, 2001

16

IR spectra and microstructure of electrolyte solutions. Dependence of spectroscopic characteristics of solvated molecules on composition of solvates in the system CH3CN–Mg(ClO4)2–DMF

Akopyan, S., Bertagnolli, H., Boyarskaya, I., Leicht, D., Merkle, R., Solovieva, L., Vilaseca, E.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 180 KB

english, 2001

17

The dissociation kinetics of dissolved metal–humate complexes

King, Samantha J., Warwick, Peter, Hall, Anthony, Bryan, Nicholas D.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 147 KB

english, 2001

18

Relaxation impedance as a model for the deactivation mechanism of fuel cells due to carbon monoxide poisoning

Schiller, C. A., Richter, F., Gülzow, E., Wagner, N.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 157 KB

english, 2001

19

Arrhenius parameters for the reaction HO2+cyclohexane between 673 and 773 K, and for H atom transfer in cyclohexylperoxy radicals

Handford-Styring, S. M., Walker, R. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 183 KB

english, 2001

20

Adsorption of methanol, formaldehyde and formic acid on the Si(100)-2×1 surface: A computational study

Lu, Xin, Zhang, Qianer, Lin, M. C.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 177 KB

english, 2001

21

Conformational dynamics of semiflexibly bridged electron donor–acceptor systems comprising long aliphatic tails

Bleisteiner, Bernd, Marian, Thomas, Schneider, Siegfried, Brouwer, Albert M., Verhoeven, Jan W.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 332 KB

english, 2001

22

ATR-IR spectroscopy at the metal–liquid interface: influence of film properties on anomalous band-shape

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 221 KB

english, 2001

23

Photochemical reactivity of halogen-containing ruthenium–dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2]

Luukkanen, Saija, Haukka, Matti, Eskelinen, Esa, Pakkanen, Tapani A., Lehtovuori, Viivi, Kallioinen, Jani, Myllyperkiö, Pasi, Korppi-Tommola, Jouko

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 184 KB

english, 2001

24

Estimates of hydride ion stability in condensed systems: energy of formation and solvation in aqueous and polar-organic solvents

Kelly, Craig A., Rosseinsky, David R.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 120 KB

english, 2001

25

Surface and bulk structural response of Pt black upon its hydrogen treatment and catalytic reaction with n-hexane

Paál, Zoltán, Wild, Ute, Wootsch, Attila, Find, Josef, Schlögl, Robert

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 261 KB

english, 2001

26

Solvation and kinetic isotope effects in H and D abstraction reactions from formate ions by D, H and Mu atoms in aqueous solution

Lossack, Annett M., Roduner, Emil, Bartels, David M.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 173 KB

english, 2001

27

Energetically accessible reconstructions along interstitial rows on the rutile (110) surface

Elliott, Simon D., Bates, Simon P.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 224 KB

english, 2001

28

Probing temperature-dependent behaviour in self-assembled monolayers by ac-impedance spectroscopy

Gyepi-Garbrah, Samuel H., Šilerová, Roberta

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 265 KB

english, 2001

29

Structural aspects of mullite-type NaAl9O14 studied by 27Al and 23Na solid-state MAS and DOR NMR techniques

MacKenzie, K. J. D., Smith, M. E., Schmücker, M., Schneider, H., Angerer, P., Gan, Z., Anupõld, T., Reinhold, A., Samoson, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 215 KB

english, 2001

30

Glyoxal studied with ‘Multimode’, explicit large amplitude motion and anharmonicity

Tew, David P., Handy, Nicholas C., Carter, Stuart

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 198 KB

english, 2001

31

T, p-Dependence of the self-diffusion and spin–lattice relaxation in fluid hydrogen and deuterium

Chen, Liuping, Groß, Thomas, Krienke, Hartmut, Lüdemann, Hans-Dietrich

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 146 KB

english, 2001

32

Multiphoton photoelectron spectroscopy: watching molecules dissociate

Urban, Bernhard, Bondybey, Vladimir E.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 122 KB

english, 2001

33

Dissociation constants of the monoprotic ferrate(VI) ion in NaCl media

Sharma, Virender K., Burnett, Christopher R., Millero, Frank J.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 160 KB

english, 2001

34

Metal ions in hydrogen bonded solvents: a gas phase perspective

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 204 KB

english, 2001

35

Reaction of carbon atoms, C (2p2, 3P) with C2H2, C2H4 and C6H6: Overall rate constant and relative atomic hydrogen production

Bergeat, Astrid, Loison, Jean-Christophe

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 130 KB

english, 2001

36

Structural transformation sequence occurring during the activation under n-butane–air of a cobalt-doped vanadium phosphate hemihydrate precursor for mild oxidation to maleic anhydride

Sajip, Sujata, Bartley, Jonathan K., Burrows, Andrew, Rhodes, Colin, Claude Volta, Jean, Kiely, Christopher J., Hutchings, Graham J.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 297 KB

english, 2001

37

Ab initio investigation of water complexes of some atmospherically important acids: HONO, HNO3 and HO2NO2

Staikova, M., Donaldson, D. J.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 185 KB

english, 2001

38

Structure and infrared (IR) assignments for the OLED material: N,N′-diphenyl-N,N′-bis(1-naphthyl)-1,1′-biphenyl-4,4″-diamine (NPB)

Halls, Mathew D., Tripp, Carl P., Bernhard Schlegel, H.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 171 KB

english, 2001

39

Theoretical and experimental approaches to evaluate the intermolecular hydrogen-bonding ability of tertiary amides

Kim, Kun-Young, Lee, Ho-Jin, Karpfen, Alfred, Park, Jeunghee, Yoon, Chang-Ju, Choi, Young-Sang

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 150 KB

english, 2001

40

Chiral self-recognition in the gas phase: the case of glycidol dimers

Borho, Nicole, Häber, Thomas, Suhm, Martin A.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 137 KB

english, 2001

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