Volume 97; Issue 16

Journal of Physical Chemistry

Volume 97; Issue 16

1

Hardness functional

Parr, Robert G., Gazquez, Jose L.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 189 KB

english, 1993

2

Intramolecular hydrogen bonding and molecular structure of 2-nitroresorcinol from gas-phase electron diffraction

Borisenko, Konstantin B., Hargittai, Istvan

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 605 KB

english, 1993

3

Molecular dynamics of organic carbonate solutions from 50 ps to 10 fs

Xu, Meizhen, Firman, Paul, Petrucci, Sergio, Eyring, Edward M.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 513 KB

english, 1993

4

Fundamental mechanisms of interfacial friction. 1. Relation between adhesion and friction

Yoshizawa, Hisae, Chen, You Lung, Israelachvili, Jacob

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 2.18 MB

english, 1993

5

Microstructural and chemical properties of ceria-supported rhodium catalysts reduced at 773 K

Bernal, S., Botana, F. J., Calvino, J. J., Cauqui, M. A., Cifredo, G. A., Jobacho, A., Pintado, J. M., Rodriguez-Izquierdo, J. M.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.95 MB

english, 1993

6

The Voronoi polyhedra as tools for structure determination in simple disordered systems

Montoro, J. C. Gil, Abascal, J. L. F.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 605 KB

english, 1993

7

Kinetics of the reactions of substituted silyl radicals [Si(CH3)3 and SiCl3] with molecular oxygen

Niiranen, Jukka T., Gutman, David

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 550 KB

english, 1993

8

Effect of nondynamical electron correlation on the geometries of conjugated .pi.-systems

Fogarasi, Geza, Liu, Ruifeng, Pulay, Peter

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 955 KB

english, 1993

9

Transport diffusivity of methane in silicalite from equilibrium and nonequilibrium simulations

Maginn, Edward J., Bell, Alexis T., Theodorou, Doros N.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.15 MB

english, 1993

10

Molecular dynamics simulation of propane and methane in silicalite

Nicholas, John B., Trouw, Frans R., Mertz, John E., Iton, Lennox E., Hopfinger, Anton J.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 3.24 MB

english, 1993

11

Frequency-resolved faradaic processes in polypyrrole films observed by electromodulation techniques: electrochemical impedance and color impedance spectroscopies

Amemiya, T., Hashimoto, K., Fujishima, A.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.15 MB

english, 1993

12

A new look at the similarities of the conjugative ability and reactivity of phosphorus-carbon and carbon-carbon double bonding

Nyulaszi, Laszlo, Veszpremi, Tamas, Reffy, Jozsef

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 546 KB

english, 1993

13

Ring confinement of electrons in a uniform magnetic field

Freeman, Gordon R., March, Norman H.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 182 KB

english, 1993

14

Strain energies in cyclic oxygen On, n = 3-8

Zhao, Ming, Gimarc, Benjamin M.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 858 KB

english, 1993

15

New structure for the most stable isomer of the benzene dimer: a quantum chemical study

Hobza, Pavel, Selzle, Heinrich L., Schlag, Edward W.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 284 KB

english, 1993

16

Impedance of polypyrrole perchlorate/polypyrrole poly(styrenesulfonate) bilayers

Ren, Xiaoming, Pickup, Peter G.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 285 KB

english, 1993

17

Quenching analysis of the Briggs-Rauscher reaction

Vukojevic, V., Soerensen, P. Graae, Hynne, F.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.18 MB

english, 1993

18

The reaction methyl + nitric oxide .fwdarw. hydrogen cyanide + water: experimental and modeling study

Lifshitz, Assa, Tamburu, Carmen, Frank, Peter, Just, Thomas

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.05 MB

english, 1993

19

Near-infrared-excited FT-Raman spectra of covalently linked porphyrin-nitrobenzene compounds

Akins, D. L., Guo, C., Zhu, H. R.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 489 KB

english, 1993

20

Theoretical Study of Long-Distance Electronic Coupling in H 2 C(CH 2 ) n-2 CH 2 Chains, n=3-16

Curtiss, Larry, Naleway, Conrad, Miller, John

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 3.84 MB

english, 1993

21

Relationship between energy and hardness differences

Gazquez, Jose L., Martinez, Ana, Mendez, Francisco

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 461 KB

english, 1993

22

Stimulated emission pumping studies of energy transfer in highly vibrationally excited molecules

Yang, X., Price, J. M., Mack, J. A., Morgan, C. G., Rogaski, C. A., McGuire, D., Kim, E. H., Wodtke, A. M.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.45 MB

english, 1993

23

Comparative theoretical evaluation of hyperpolarizabilities of push-pull polyenes and polyynes. The important role of configuration mixing in the excited states

Jain, Monika, Chandrasekhar, Jayaraman

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 725 KB

english, 1993

24

Reaction of deuterium atoms with cyclohexane on copper (111): hydrogen abstraction reactions by Eley-Rideal mechanisms

Xi, Ming, Bent, Brian E.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 822 KB

english, 1993

25

Spin-forbidden excitation transfer and heavy-atom induced intersystem crossing in linear and cyclic peptides

Basu, Gautam, Kubasik, Matthew, Anglos, Demetrios, Kuki, Atsuo

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.50 MB

english, 1993

26

Additive second-order nonlinear susceptibilities in Langmuir-Blodgett multibilayers: testing the oriented gas model

Motschmann, Hubert R., Penner, Thomas L., Armstrong, Nancy J., Ezenyilimba, Matthew C.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.03 MB

english, 1993

27

Effects of seed clusters on rate of condensation

Lippmann, David, Schieve, W. C.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 514 KB

english, 1993

28

First crystalline electride revisited: new magnetic susceptibility studies of Cs+(18-crown-6)2e-

Wagner, Michael J., Huang, Rui H., Dye, James L.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 293 KB

english, 1993

29

Experimental and theoretical studies of the phosphorus-hydrogen bond length and stretching mode of the phosphite anion

Stringfellow, T. C., Trudeau, J. D., Farrar, T. C.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 639 KB

english, 1993

30

Electronic spectroscopy of four conformations of jet-cooled 1,6-dihydroxynaphthalene

Smith, Jonathan M., Zhang, Xu, Thompson, Andrew, Lakshminarayan, Chitra, Knee, J. L.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 519 KB

english, 1993

31

Spectroscopy of C-H stretching vibrations of gas-phase butenes: cis-2-butene, trans-2-butene, 2-methyl-2-butene, and 2,3-dimethyl-2-butene

Manzanares I., Carlos, Blunt, Victor M., Peng, Jingping

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.04 MB

english, 1993

32

Conformational analysis. 20. 2-Bromoethanol and 2-iodoethanol. Structures, compositions, and anti-gauche energy and entropy differences from electron diffraction and structures and vibrational wavenumbers from an ab initio calculation

Thomassen, Hanne, Samdal, Svein, Hedberg, Kenneth

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 799 KB

english, 1993

33

Sensitivity analysis of the scattering wave functions for a model potential via the stabilization method

Chao, Jeng Shiow Yau

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 709 KB

english, 1993

34

Strain energies in sulfur rings, Sn, n = 3-8

Warren, D. Scott, Gimarc, Benjamin M.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 686 KB

english, 1993

35

Ab initio molecular orbital study of the electronic and geometric structure of methylenerhodium(1+) and the reaction mechanism: RhCH2+ + H2 .fwdarw. Rh+ + CH4

Musaev, Djamaladdin G., Koga, Nobuaki, Morokuma, Keiji

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.30 MB

english, 1993

36

Ab initio characterization of gaseous phosphorus oxide (P2O2)

Lopez, Xabier, Sarasola, Cecilia, Largo, Antonio, Barrientos, Carmen, Ugalde, Jesus M., Lecea, B.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 503 KB

english, 1993

37

EPR measurement of the reaction of atomic hydrogen with bromide and iodide in aqueous solution

Bartels, David M., Mezyk, Stephen P.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 638 KB

english, 1993

38

Dihydroazulene/vinylheptafulvene photochromism: effects of substituents, solvent, and temperature in the photorearrangement of dihydroazulenes to vinylheptafulvenes

Goerner, Helmut, Fischer, Christian, Gierisch, Sebastian, Daub, Joerg

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 892 KB

english, 1993

39

Xenon-129 NMR spectrum of xenon in the .alpha.-cage of zeolite A during hydration and ion exchange

Ryoo, Ryong, de Menorval, Louis Charles, Kwak, Ja Hun, Figueras, Francois

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 397 KB

english, 1993

40

Time-resolved studies of charge carrier relaxation in chemically modified semiconductor electrodes: n-cadmium selenide/silane interfaces

Dollard, W. J., Shumaker, M. L., Waldeck, D. H.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 927 KB

english, 1993

41

Studies of the segregation dependence of proton Knight shifts in ruthenium-copper bimetallics

Khanra, B. C., King, T. S.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 803 KB

english, 1993

42

Interactions of ammonia with a nickel oxide (100) surface studied by high-resolution electron energy loss spectroscopy and temperature programmed desorption spectroscopy

Wu, Ming Cheng, Truong, Charles M., Goodman, D. Wayne

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 650 KB

english, 1993

43

Dynamics of Faradaic processes in polypyrrole/polystyrenesulfonate composite films in the presence and absence of a redox species in aqueous solutions

Amemiya, T., Hashimoto, K., Fujishima, A.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 439 KB

english, 1993

44

NaY zeolite-supported rhenium-platinum catalysts prepared from organometallic precursors: evidence of the Re-Pt interaction from infrared and x-ray absorption spectroscopies

Purnell, S. K., Gates, B. C., Chang, J. R.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.10 MB

english, 1993

45

Magnetic exchange interactions in the alternating copper chain Cu2(CDTA)*4H2O derived from susceptibility and EPR measurements

Borras-Almenar, Juan J., Coronado, Eugenio, Gatteschi, Dante, Gomez-Garcia, Carlos J., Zanchini, Claudia

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 563 KB

english, 1993

46

Dynamic spherical model for solvation in a dipolar lattice

Zhou, Huan Xiang

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 723 KB

english, 1993

47

Thermodynamics of the volatilization of thallium(I) oxide from Tl2O, Tl4O3, and Tl2O3

Holstein, W. L.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 857 KB

english, 1993

48

Rotational reorientation kinetics of dansylated bovine serum albumin

Wang, Run, Bright, Frank V.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 841 KB

english, 1993

49

Gas-phase ion chemistry of cyanamide. A mass spectrometric and ab initio study of gaseous [H2N-CN].+, [H2N-CN]H+, and [HN-CN]- ions

Cacace, Fulvio, de Petris, Giulia, Grandinetti, Felice, Occhiucci, Giorgio

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 764 KB

english, 1993

50

Comment on "Does the DLVO account for interactions between charged spheric vesicles?"

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 134 KB

english, 1993

51

Reply to comment on "Does the DLVO account for interactions between charged spheric vesicles?"

Carmona-Ribeiro, A. M.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 77 KB

english, 1993

52

In situ solid-state NMR study of methanol-to-gasoline chemistry in zeolite HZSM-5. [Erratum to document cited in CA117(14):134098f]

Munson, Eric J., Kheir, Ali A., Lazo, Noel D., Haw, James F.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 67 KB

english, 1993

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