Volume 89; Issue 11

Journal of Physical Chemistry

Volume 89; Issue 11

1

Structural effects on the proton-transfer kinetics of 3-hydroxyflavones

Strandjord, Andrew J. G., Smith, David E., Barbara, Paul F.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 610 KB

english, 1985

2

The proton-transfer kinetics of 3-hydroxyflavone: solvent effects

Strandjord, Andrew J. G., Barbara, P. F.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 830 KB

english, 1985

3

Interaction between nickel and the ligand groups carbonyl, water, and phosphine

Blomberg, Margareta R. A., Brandemark, Ulf B., Siegbahn, Per E. M., Mathisen, Kristen Broch, Karlstroem, Gunnar

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.32 MB

english, 1985

4

Applications of quantum mechanical molecular models to chemical problems. Part 70. Quantum mechanical molecular models

Dewar, Michael J. S.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 918 KB

english, 1985

5

Semiclassical dressed state theory for the vibrational excitation of a Morse oscillator by radiation

Voth, Gregory A., Marcus, R. A.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 789 KB

english, 1985

6

Ground- and excited-state proton transfers in reversed micelles. Polarity restrictions and isotope effects

Politi, Mario J., Brandt, Ogden, Fendler, Janos H.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.07 MB

english, 1985

7

Intraatomic correlation correction in the FORS model

Lam, Brenda, Schmidt, Michael W., Ruedenberg, Klaus

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.91 MB

english, 1985

8

Can simple localized bond orbitals and coupled cluster methods predict reliable molecular energies?

Laidig, William D., Purvis, George D., Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.41 MB

english, 1985

9

Determination of the absorption cross section for methyl at 216.36 nm and the absolute rate constant for methyl radical recombination over the temperature range 296-577 K

Macpherson, Martyn T., Pilling, Michael J., Smith, Martin J. C.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 838 KB

english, 1985

10

High-purity iron(II) iodide: preparation, vapor pressure, and vapor composition, 792 to 1138 K

Mucklejohn, S. A., O'Brien, N. W., Brumleve, T. R.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 888 KB

english, 1985

11

Thermal decomposition of formamide: shock tube experiments and ab initio calculations

Kakumoto, Terumitsu, Saito, Ko, Imamura, Akira

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 745 KB

english, 1985

12

AB-initio prediction of properties of carbon dioxide, ammonia, and carbon dioxide...ammonia

Amos, R. D., Handy, N. C., Knowles, P. J., Rice, J. E., Stone, A. J.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 861 KB

english, 1985

13

X-ray absorption spectroscopy study of copper-based methanol catalysts. 1. Calcined state

Clausen, Bjerne S., Lengeler, Bruno, Rasmussen, Birgitte S.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.61 MB

english, 1985

14

Strengthening of hydrophobic bonding and the increase in the degree of micellar ionization by amphiphiles and the micelle-water distribution coefficient as a function of the surfactant chain length in sodium alkyl sulfates

Abu-Hamdiyyah, Mohammad, Rahman, Ibrahim A.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 962 KB

english, 1985

15

Ab initio molecular orbital calculations on phosphates: comparison with silicates

O'Keeffe, M., Domenges, B., Gibbs, G. V.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 785 KB

english, 1985

16

Systematic design of chemical oscillators. Part 27. A mechanism for dynamical behavior in the oscillatory chlorite-iodide reaction

Epstein, Irving R., Kustin, Kenneth

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 945 KB

english, 1985

17

Enantioselective hydrogenation of methyl acetoacetate over a modified nickel surface: MNDO calculations of stability for intermolecular interactions

Yokozeki, Michio, Shimokoshi, Kazuo, Miyazaki, Eizo

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.15 MB

english, 1985

18

Theoretical thermochemistry. 1. Heats of formation of neutral AHn molecules (A = Li to Cl)

Pople, John A., Luke, Brian T., Frisch, Michael J., Binkley, J. Stephen

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 765 KB

english, 1985

19

Dynamical symmetries

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1009 KB

english, 1985

20

Phase transitions in nitrogen observed by Raman spectroscopy from 0.4 to 27.4 GPa at 15 K

Schiferl, David, Buchsbaum, Steven, Mills, Robert L.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 841 KB

english, 1985

21

Kinetics of crystal growth of oxytetracycline dihydrate

Maksimovic, L., Babic, D., Kallay, N.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.64 MB

english, 1985

22

Photophysics of coumarin inclusion complexes with cyclodextrin. Evidence for normal and inverted complex formation

Scypinski, S., Drake, J. M.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 478 KB

english, 1985

23

The significance and characteristics of organized solutions

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 395 KB

english, 1985

24

Identification of ammonia clusters in low-temperature matrixes using the FTIR short-pulsed matrix isolation technique

Nishiya, Teruhiko, Hirota, Noboru, Shinohara, Hisanori, Nishi, Nobuyuki

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 576 KB

english, 1985

25

Watching silver clusters grow in zeolites: direct probe Fourier transform-far-infrared spectroscopy of the red form of fully silver ion exchanged zeolite A

Baker, Mark D., Godber, John, Ozin, Geoffrey A.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 702 KB

english, 1985

26

Singlet and triplet potential surfaces for the nickel-ethylene [Ni(C2H4)] complex. A CASSCF-CI study

Widmark, Per Olof, Roos, Bjoern O., Siegbahn, Per E. M.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 922 KB

english, 1985

27

Thermal decomposition of energetic materials. 2. The thermolysis of nitrate and perchlorate salts of the pentaerythrityltetrammonium ion, C(CH2NH3)44+, by rapid-scan FTIR spectroscopy. The crystal structure of pentaerythrityltetrammonium nitrate ([C(CH2NH3)4](NO3)4)

Oyumi, Y., Brill, T. B., Rheingold, A. L., Lowe-Ma, C.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 829 KB

english, 1985

28

Flash photolysis of transient radicals. 1. X2- with X = Cl, Br, I, and SCN

Nagarajan, V., Fessenden, Richard W.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 822 KB

english, 1985

29

The structure of nitromethane at pressures of 0.3 to 6.0 GPa

Cromer, Don T., Ryan, Robert R., Schiferl, David

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 433 KB

english, 1985

30

The effect of electron correlation on the metal-ligand interaction in iron pentacarbonyl (Fe(CO)5)

Luethi, Hans P., Siegbahn, Per E. M., Almloef, Jan

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 775 KB

english, 1985

31

Deuterium nuclear magnetic resonance study of solid deoxycholic acid adducts: structure, dynamics, and photochemical reactivity

Meirovitch, Eva

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.02 MB

english, 1985

32

Field-induced infrared absorption in metal surface spectroscopy: the electrochemical Stark effect

Pons, Stanley, Korzeniewski, Carol, Shirts, Randall B., Bewicks, Alan

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 244 KB

english, 1985

33

Ion chemistry and electron affinity of tungsten hexafluoride

Viggiano, A. A., Paulson, John F., Dale, Fred, Henchman, Michael, Adams, N. G., Smith, D.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 541 KB

english, 1985

34

Electron-transfer kinetics of quinones at solid electrodes in aprotic solvents at low temperatures

Nagaoka, Tsutomu, Okazaki, Satoshi

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 645 KB

english, 1985

35

Electronic structure of organometallic compounds. Part 28. Photoelectron spectra of transition-metal-1-methylborinato complexes in the outer valence region. Semiempirical model calculations based on Green's function formalism

Boehm, Michael C., Gleiter, Rolf, Herberich, Gerhard E., Hessner, Bernd

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.57 MB

english, 1985

36

Quantum mechanical rate constants via path integrals: diffusion of hydrogen atoms on a tungsten(100) surface

Jaquet, Ralph, Miller, William H.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 682 KB

english, 1985

37

Theoretical study of the structure and spectroscopic characteristics of protonated carbon dioxide

Frisch, Michael J., Schaefer, Henry F., Binkley, J. Stephen

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 389 KB

english, 1985

38

Ab initio computation of molecular similarity

Bowen-Jenkins, Philippa E., Cooper, David L., Richards, W. Graham

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 267 KB

english, 1985

39

Generalized transition state theory and least-action tunneling calculations for the reaction rates of atomic hydrogen(deuterium) + molecular hydrogen(n = 1) .fwdarw. molecular hydrogen(hydrogen deuteride) + atomic hydrogen

Garrett, Bruce C., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 684 KB

english, 1985

40

Excitation energy dependent photochemistry near the carbon K edge in polymer films

Hanson, D. M., Anderson, S. L., Nelson, M. C., Williams, G. P., Lucas, N.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 356 KB

english, 1985

41

Liquid-liquid phase separation in multicomponent polymer systems. 23. On the Gibbs criterion of the critical state

Solc, Karel, Koningaveld, Ronald

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 492 KB

english, 1985

42

Studies of vibrational relaxation in low-temperature molecular crystals using coherent Raman spectroscopy

Velsko, S., Hochstrasser, R. M.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.91 MB

english, 1985

43

Time-dependent mass spectra and breakdown graphs. 6. Slow unimolecular dissociation of bromobenzene ions at near threshold energies

Malinovich, Y., Arakawa, R., Haase, G., Lifshitz, Chava

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 956 KB

english, 1985

44

Polarizability and second hyperpolarizability of some molecular cations. The effect of charge variation on these properties

Waite, J., Papadopoulos, M. G.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 359 KB

english, 1985

45

Pressure saturation of the collisional quenching of the 3B1 state of sulfur dioxide. 2

Strickler, Steward J., Ito, Robert D.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 944 KB

english, 1985

46

Kinetics of complexation of the macrocyclic ethers 18C6 and 12C4 with lithium hexafluoroarsenate (LiAsF6) in 1,2-dimethoxyethane at 25.degree.C

Richman, Helmut, Harada, Yoshifumi, Eyring, Edward M., Petrucci, Sergio

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 400 KB

english, 1985

47

Partitioning of rigid macromolecules in assemblages of spheres

Smith, Douglas M., Huizenga, David G.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 354 KB

english, 1985

48

Brownian dynamics simulation of an electrical double layer. Applications to lamellar liquid crystals

Aakesson, Torbjoern, Joensson, Bo

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 613 KB

english, 1985

49

Photoionization thresholds of chlorophyll a and N,N,N',N'-tetramethylbenzidine in vesicle and micelle frozen solutions

Ohta, Nobuaki, Kevan, Larry

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 679 KB

english, 1985

50

Influence of thallium ions on the location and coordination geometry of copper(2+) in alkali metal-X zeolites studied by electron spin resonance and electron spin-echo modulation spectrometry

Lee, Haiwon, Narayana, M., Kevan, Larry

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 794 KB

english, 1985

51

Counterion self-diffusion in aqueous solutions of poly(acrylic acid) and poly(methacrylic acid)

Rymden, Roger, Stilbs, Peter

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 477 KB

english, 1985

52

Fifth American Conference on Theoretical Chemistry - Introductory Remarks

Schaefer III, Henry

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 230 KB

english, 1985

53

Additions and Corrections - The Shape as a Characteristic Property of Solvated Electron Optical Absorption Bands

Tuttle, Jr., T., Golden, Sidney, Lwenje, Salia, Stupak, Catherine

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 94 KB

english, 1985

54

Ab initio quantum chemical studies of electric field gradients in the hydrogen bonded molecular nitrogen-hydrogen fluoride and molecular nitrogen-hydrogen chloride complexes

Cummins, Peter L., Bacskay, George B., Hush, Noel S.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 653 KB

english, 1985

55

A theoretical study of the silylboranes

Bock, Charles W., Trachtman, Mendel, Mains, Gilbert J.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 373 KB

english, 1985

56

RC-PID: a control algorithm suitable for precise rate determinations

James, Douglas R.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 583 KB

english, 1985

57

The molecular time scale generalized Langevin equation approach to problems in condensed-phase chemical reaction dynamics

Adelman, Steven A.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 3.20 MB

english, 1985

58

Structures of 2:1 complexes between halogenated alcohols and N,N-dimethylacetamide or acetone

Mizuno, Kazuko, Saito, Masaharu, Uchida, Sohkichi, Shindo, Yohji

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 414 KB

english, 1985

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