Volume 100; Issue 41

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Journal of Physical Chemistry
Volume 100; Issue 41

Journal of Physical Chemistry

Volume 100; Issue 41

1

Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Scott, Anthony P., Radom, Leo

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 494 KB

english, 1996

2

Permeation Process of Small Molecules across Lipid Membranes Studied by Molecular Dynamics Simulations

Marrink, Siewert J., Berendsen, Herman J. C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 382 KB

english, 1996

3

FTIR Investigation of the Formation of Neutral and Ionic Hydrogen-Bonded Complexes by Interaction of H-ZSM-5 and H-Mordenite with CH3CN and H2O: Comparison with the H-NAFION Superacidic System

Zecchina, Adriano, Geobaldo, Francesco, Spoto, Giuseppe, Bordiga, Silvia, Ricchiardi, Gabriele, Buzzoni, Roberto, Petrini, Guido

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 667 KB

english, 1996

4

Optical Spectra of Ni(CO) 4 and Cr(CO) 6 Revisited

Pierloot, K., Tsokos, E., Vanquickenborne, L. G.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 214 KB

english, 1996

5

Recalibration of Two Earlier Potential Energy Surfaces for the CH 4 + H → CH 3 + H 2 Reaction. Application of Variational Transition-State Theory and Analysis of the Kinetic Isotope Effects Using Rectilinear and Curvilinear Coordinates

Espinosa-García, J., Corchado, J. C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 404 KB

english, 1996

6

Pressure Tuning of Mass and Charge Transport in Redox-Active Polymeric Networks

Cruañes, María T., Drickamer, Harry G., Faulkner, Larry R.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 520 KB

english, 1996

7

Kinetics of the Proton Transfer in X···(H 2 O) 4 Clusters (X = H 2 O, NH 3 , H 2 S, and HCl): Evidence of a Concerted Mechanism

Planas, Marc, Lee, Chengteh, Novoa, Juan J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 340 KB

english, 1996

8

Measurement of Temperature-Independent Femtosecond Interfacial Electron Transfer from an Anchored Molecular Electron Donor to a Semiconductor as Acceptor

Burfeindt, Bernd, Hannappel, Thomas, Storck, Winfried, Willig, Frank

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 241 KB

english, 1996

9

Harmonic Vibrational Frequencies and Force Constants of M(CO) 5 CX (M = Cr, Mo, W; X = O, S, Se). The Performance of Density Functional Theory and the Influence of Relativistic Effects

Bérces, Attila

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 255 KB

english, 1996

10

Dealumination of Zeolite β via Dicarboxylic Acid Treatment

Apelian, Minas R., Fung, Anthony S., Kennedy, Gordon J., Degnan, Thomas F.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 585 KB

english, 1996

11

Size of Sodium Dodecyl Sulfate Micelles in Aqueous Solutions as Studied by Positron Annihilation Lifetime Spectroscopy

Duplâtre, G., Ferreira Marques, M. F., da Graça Miguel, M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 347 KB

english, 1996

12

Calorimetric Investigation of a New Solid Phase in Triphenylphosphite

Miltenburg, Kees van, Blok, Koos

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 181 KB

english, 1996

13

Alkane Sorption on Siliceous and Aluminophosphate Molecular Sieves. A Comparative Study

Eder, F., Lercher, J. A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 146 KB

english, 1996

14

Surface Chemical Species Investigation by FT-IR Spectrometry and Surface Modification of a Nanosized SiCN Powder Synthesized via Chemical Vapor Condensation

Baraton, M.-I., Chang, W., Kear, B. H.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 510 KB

english, 1996

15

A Theoretical Study on the Mechanism of the Superacid-Catalyzed Unimolecular Isomerization of n -Alkanes and n -Alkenes. Comparison between ab Initio and Density Functional Results

Boronat, M., Viruela, P., Corma, A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 302 KB

english, 1996

16

Quantum-Chemical Study of Electrochemical Promotion in Catalysis

Pacchioni, Gianfranco, Illas, Francesc, Neophytides, Stelios, Vayenas, Constantinos G.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 620 KB

english, 1996

17

Preparation and Properties of Composite Membranes Composed of Anion-Exchange Membranes and Polypyrrole

Sata, Toshikatsu, Yamaguchi, Takanori, Matsusaki, Koji

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 496 KB

english, 1996

18

Time-Resolved Resonance Raman Spectroscopic Studies on the Radical Anions of Menaquinone and Naphthoquinone

Balakrishnan, Gurusamy, Mohandas, Pothukattil, Umapathy, Siva

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 409 KB

english, 1996

19

Adsorption Kinetics on Fractal Surfaces

Giona, Massimiliano, Giustiniani, Manuela

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 487 KB

english, 1996

20

Network Modification in Potassium Borate Glasses: Structural Studies with NMR and Raman Spectroscopies

Youngman, Randall E., Zwanziger, Josef W.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 670 KB

english, 1996

21

RISM Integral Equation Study of Local Solvation Behavior of Naphthalene in Supercritical Carbon Dioxide

Koga, Kenichiro, Tanaka, Hideki, Zeng, X. C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 871 KB

english, 1996

22

Synthesis and Mid-IR Absorption Cross Sections of BrNO 2

Frenzel, Andreas, Scheer, Volker, Behnke, Wolfgang, Zetzsch, Cornelius

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 271 KB

english, 1996

23

Autopoietic Self-Reproducing Vesicles: A Simplified Kinetic Model

Mavelli, Fabio, Luisi, Pier L.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 392 KB

english, 1996

24

High-Frequency Electron Paramagnetic Resonance Spectroscopy of the Apogalactose Oxidase Radical

Gerfen, Gary J., Bellew, Brendan F., Griffin, Robert G., Singel, David J., Ekberg, Christopher A., Whittaker, James W.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 585 KB

english, 1996

25

Thermokinetic Determination of Gas-Phase Basicities. Application to Ketene, Methylketene, and Formaldimine

Bouchoux, Guy, Salpin, Jean-Yves

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 319 KB

english, 1996

26

Cross Coupling of Phenyl Groups with Alkyl Iodides on Copper Surfaces: A Radical Mechanism?

Kash, P. W., Sun, D.-H., Xi, M., Flynn, G. W., Bent, B. E.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 710 KB

english, 1996

27

Structural and Optical Nonlinear Characterizations of Langmuir−Blodgett Films of 1-Benzyl-9-hydrofullerene-60

Ma, Shihong, Lu, Xingze, Chen, Jian, Han, Kui, Liu, Liying, Huang, Zuen, Cai, Ruifang, Wang, Gongming, Wang, Wencheng, Li, Yufen

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 364 KB

english, 1996

28

Characterization of the Interactions between Lysozyme and n -Alkyltrimethylammonium Bromides by Zeta Potential Measurements

Mosquera, Víctor, Ruso, Juan Manuel, Prieto, Gerardo, Sarmiento, Félix

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 310 KB

english, 1996

29

Effects of Solute Electronic Structure Variation on Photon Echo Spectroscopy

Bursulaya, Badry D., Kim, Hyung J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 573 KB

english, 1996

30

UiO-7: A New Aluminophosphate Phase Solved by Simulated Annealing and High-Resolution Powder Diffraction

Akporiaye, D. E., Fjellvåg, H., Halvorsen, E. N., Hustveit, J., Karlsson, A., Lillerud, K. P.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 251 KB

english, 1996

31

External Electric Field Effects on Fluorescence in an Electron Donor and Acceptor System: Ethylcarbazole and Dimethyl Terephthalate in PMMA Polymer Films

Ohta, Nobuhiro, Koizumi, Masaru, Umeuchi, Shiro, Nishimura, Yoshinobu, Yamazaki, Iwao

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 997 KB

english, 1996

32

Study of the Ribonuclease S-Peptide/S-Protein Complex by Means of Raman Difference Spectroscopy

Gilmanshin, Rudolf, Van Beek, Jeroen, Callender, Robert

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 293 KB

english, 1996

33

Jet-Cooled Solvent Complexes with Indoles

Huang, Yuhui, Sulkes, Mark

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 923 KB

english, 1996

34

Probing Cation Sites in Cesium-Exchanged Zeolite Y via 133 Cs MAS NMR

Malek, Andrzej, Ozin, Geoffrey A., Macdonald, Peter M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 403 KB

english, 1996

35

Orientation of the OH Dipole of Tyrosine (M)210 and Its Effect on Electrostatic Energies in Photosynthetic Bacterial Reaction Centers

Alden, Rhett G., Parson, William W., Chu, Zhen Tao, Warshel, Arieh

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 537 KB

english, 1996

36

Critical Behavior of a Pseudobinary System for a Three-Component Microemulsion

An, Xueqin, Feng, Jiao, Shen, Weiguo

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 393 KB

english, 1996

37

Reactions of Selenium in a Quartz Discharge Tube. Infrared Spectra and Density Functional Theory Calculations of New Selenium−Nitrogen and Selenium−Silicon Species in Solid Argon

Andrews, Lester, Hassanzadeh, Parviz, Lanzisera, Dominick V., Brabson, G. Dana

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 275 KB

english, 1996

38

Gas-Phase Proton Affinity of Nitric Acid and Its Esters. A Mass Spectrometric and ab Initio Study on the Existence and the Relative Stability of Two Isomers of Protonated Ethyl Nitrate

Aschi, Massimiliano, Cacace, Fulvio, de Petris, Giulia, Pepi, Federico

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 428 KB

english, 1996

39

Density Functional Studies of Vibrational Properties of HCN, H 2 O, CH 2 O, CH 4 , and C 2 H 4

Choi, Cheol Ho, Kertesz, Miklos

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 333 KB

english, 1996

40

Reactions of Selenium and Oxygen. Matrix Infrared Spectra and Density Functional Calculations of Novel Se x O y Molecules

Brabson, G. Dana, Andrews, Lester, Marsden, Colin J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 511 KB

english, 1996

41

Investigation of the Photoelectrochemistry of C 60 and Its Pyrrolidine Derivatives by Monolayer-Modified SnO 2 Electrodes

Luo, Chuping, Huang, Chunhui, Gan, Liangbing, Zhou, Dejian, Xia, Wensheng, Zhuang, Qiankun, Zhao, Yilei, Huang, Yanyi

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 617 KB

english, 1996

42

Adsorption Kinetics of Diazinon at the Air−Water Interface

Lin, Shi-Yow, Lin, Lung-Wei, Chang, Hong-Chi, Ku, Young

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 367 KB

english, 1996

43

Binary Phases of C 60 and C 70 Buckminsterfullerenes: An Electron Crystallographic Study

Dorset, Douglas L.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 311 KB

english, 1996

44

Measuring Electrostatic Double-Layer Forces at High Surface Potentials with the Atomic Force Microscope

Raiteri, Roberto, Grattarola, Massimo, Butt, Hans-Jürgen

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 353 KB

english, 1996

45

Stabilizing Unstable Fixed Points Using Derivative Control

Parmananda, P., Eiswirth, M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 349 KB

english, 1996

46

Structural Properties of [(Trichlorosilyl)amino]dichloroborane

Mühlhäuser, Max, Gastreich, Marcus, Marian, Christel M., Jüngermann, Hardy, Jansen, Martin

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 329 KB

english, 1996

47

Biomolecular Recognition at Phospholipid-Covered Polystyrene Microspheres

Sicchierolli, Sandra Miceli, Carmona-Ribeiro, Ana Maria

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 483 KB

english, 1996

48

Spectroscopic Studies of Nickel(II) and Nickel(III) Species Generated upon Thermal Treatments of Nickel/Ceria-Supported Materials

Davidson, A., Tempere, J. F., Che, M., Roulet, H., Dufour, G.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 82 KB

english, 1996

49

Reactions and Thermochemistry of Small Cluster Ions: Fe(CS 2 ) n + ( n = 1, 2)

Capron, Laure, Feng, Wan Yong, Lifshitz, Chava, Tjelta, Brenda L., Armentrout, Peter B.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 347 KB

english, 1996