The dynamic behavior of a crystal during defect jumps. I. Molecular dynamics studies using Lennard‐Jones potential functions (English)
National licence
- New search for: Becker, K. D.
- New search for: Hoheisel, C.
- New search for: Becker, K. D.
- New search for: Hoheisel, C.
In:
The Journal of Chemical Physics
;
77
, 10
;
5108-5113
;
1982
- Article (Journal) / Electronic Resource
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Title:The dynamic behavior of a crystal during defect jumps. I. Molecular dynamics studies using Lennard‐Jones potential functions
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Contributors:Becker, K. D. ( author ) / Hoheisel, C. ( author )
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Published in:The Journal of Chemical Physics ; 77, 10 ; 5108-5113
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Publisher:
- New search for: American Institute of Physics
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Publication date:1982-11-15
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ISSN:
-
DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 77, Issue 10
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 4797
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Radiative transition probabilities of Er3+ in yttria stabilized cubic zirconia crystals| 1982
- 4804
-
Photoionization of ArKr, ArXe, and KrXe and bond dissociation energies of the rare gas dimer ions| 1982
- 4818
-
Rotational relaxation in supersonic beams of hydrogen by high resolution photoelectron spectroscopy| 1982
- 4826
-
Pyridine radical cation and its fluorine substituted derivativesBondybey, V. E. / English, J. H. / Shiley, R. H. et al. | 1982
- 4832
-
Medium high‐resolution CARS applied to the ring puckering progressions in the C–H stretching region of trimethylene oxide and several deuterated analogsFietz, H. / Beckmann, A. / Kiefer, W. / Wieser, H. et al. | 1982
- 4838
-
Structure and spectra of H2O in hydrated β‐alumina| 1982
- 4857
-
Hydration of lithium β‐alumina| 1982
- 4870
-
UV photoelectron spectroscopy of several one‐ and two‐component organic photoconductorsKarl, Norbert / Sato, Naoki / Seki, Kazuhiko / Inokuchi, Hiroo et al. | 1982
- 4879
-
ESR of sulfur substituted purines and nucleosides: Hydrogen atom and alkoxy radicals at 20 Ka)Kim, Hack‐soo / Alexander, Chester et al. | 1982
- 4884
-
Conformational barriers to internal rotation and vibrational assignment of cyclopropylcarbonyl fluorideDurig, J. R. / Bist, H. D. / Little, T. S. et al. | 1982
- 4895
-
Theoretical and experimental studies of the valence photoelectron spectrum of C2H2Mu¨ller, J. / Arneberg, R. / A˚gren, H. / Manne, R. / Malmquist, P.‐A˚. / Svensson, S. / Gelius, U. et al. | 1982
- 4903
-
Drastic spectroscopic perturbations due to dynamics of linearly inactive (sequence forming) and linearly active (progression forming) Jahn–Teller modesScharf, Benjamin / Vitenberg, Rachel / Katz, Benjamin / Band, Yehuda B. et al. | 1982
- 4912
-
Regularities in the two‐photon spectra of polysubstituted benzenesRava, Richard P. / Goodman, Lionel / Philis, John G. et al. | 1982
- 4920
-
Temperature dependence of the Raman active phonons in TCNQ crystalsCarlone, Cosmo / Cyr, Camil / Jandl, Serge / Hota, N. K. / Zauhar, J. et al. | 1982
- 4926
-
Infrared spectrum of the methanol dimer in matrices. Temperature and irradiation effects in solid nitrogenSchriver, L. / Burneau, A. / Perchard, J. P. et al. | 1982
- 4933
-
Analysis of the far infrared H2–He spectrumCohen, E. Richard / Frommhold, Lothar / Birnbaum, George et al. | 1982
- 4942
-
Electron affinities of SO2 and nitrobenzeneFukuda, Elaine K. / McIver, Robert T. et al. | 1982
- 4949
-
Vibrational relaxation of the bending modes of D2O, D2S, and H2Se gas mixturesMiljanic´, Sˇc´epan S. / Specht, Eliot / Moore, C. Bradley et al. | 1982
- 4955
-
Observation of electron beam induced chemistry by tunneling spectroscopyKroeker, R. M. / Pacansky, J. et al. | 1982
- 4957
-
Bound trajectories on the H+H2 surface: A test of the adiabatic model for reaction dynamics| 1982
- 4965
-
Kinetic rates in the oxygen–iodine system| 1982
- 4972
-
Beam maser investigation of inelastic scattering of NH3. II. Cross sections for rotational transitions induced by polar gasesKlaassen, D. B. M. / ter Meulen, J. J. / Dymanus, A. et al. | 1982
- 4982
-
Theory of resonances in three‐dimensional chemical reactions. I. Feshbach analysis and computational techniques| 1982
- 4994
-
Theory of resonances in three‐dimensional chemical reactions. II. Application to a model atom–diatom reaction| 1982
- 5009
-
A single coordinate, arrangement channels approach to reactive scatteringTop, Z. H. / Shapiro, M. et al. | 1982
- 5017
-
Kramers’ theory of chemical kinetics: Curvilinear reaction coordinates| 1982
- 5026
-
Model calculation of the effect of hydration on the energy band structure of a nucleotide base stackOtto, P. / Ladik, J. / Corongiu, G. / Suhai, S. / Fo¨rner, W. et al. | 1982
- 5030
-
Electronic structure of polypyrrole and oligomers of pyrroleFord, W. K. / Duke, C. B. / Salaneck, W. R. et al. | 1982
- 5040
-
Energetic considerations of the vibrational potential function in the effective nuclear charge model. IIOhwada, Ken et al. | 1982
- 5045
-
A comparative study of the convergence characteristics of modified virtual orbitals within an orbitally ordered CI expansionCooper, Ian L. / Pounder, Christopher N. M. et al. | 1982
- 5053
-
Universal systematic sequence of even‐tempered exponential‐type functions in electronic structure studiesCooper, David L. / Wilson, Stephen et al. | 1982
- 5058
-
The critical region in the Percus–Yevick approximation. A numerical study for a Lennard‐Jones potentialBrey, J. J. / Santos, A. / Romero, F. et al. | 1982
- 5065
-
Adsorption of nitrogen molecules on graphite for 31<T<52 K: The fluid‐to‐commensurate‐solid transition, multilayer condensation, and the pressure–temperature phase diagramDiehl, R. D. / Fain, S. C. et al. | 1982
- 5073
-
Monte Carlo simulations of liquid tetrahydrofuran including pseudorotation| 1982
- 5080
-
The nature of dilute solutions of sodium ion in water, methanol, and tetrahydrofuran| 1982
- 5090
-
Chain ordering and molecular orientational order in liquid crystalsSamulski, Edward T. / Dong, Ronald Y. et al. | 1982
- 5097
-
Thermodynamic studies of phase transitions in chloropentamethylbenzene| 1982
- 5108
-
The dynamic behavior of a crystal during defect jumps. I. Molecular dynamics studies using Lennard‐Jones potential functionsBecker, K. D. / Hoheisel, C. et al. | 1982
- 5114
-
Chemical and electrochemical isomerization of polyacetylene: In situ optical studiesFeldblum, A. / Heeger, A. J. / Chung, T.‐C. / MacDiarmid, A. G. et al. | 1982
- 5122
-
Relaxation time study of motion and phase transitions in hydrazine dinitrate N2H6(NO3)2| 1982
- 5127
-
Energy transfer as a continuous time random walkBlumen, A. / Zumofen, G. et al. | 1982
- 5141
-
Study of rotational distribution of N2 in the Ar free jet using two‐parameter power gap modelKoura, Katsuhisa et al. | 1982
- 5146
-
Temperature and size dependence of intermolecular energy transfer probability in a nonreacting systemOref, I. et al. | 1982
- 5150
-
The application of the hypernetted chain approximation to the electrical double layer: Comparison with Monte Carlo results for symmetric saltsLozada‐Cassou, Marcelo / Saavedra‐Barrera, Rafael / Henderson, Douglas et al. | 1982
- 5157
-
The shock induced electrical polarization of waterHarris, Paul / Presles, Henri‐No¨el et al. | 1982
- 5165
-
Dielectric relaxations in a supercooled liquid and glassy smectic phaseJohari, G. P. / Goodby, J. W. et al. | 1982
- 5173
-
Theory of the refractive index of fluidsHo&slash;ye, J. S. / Stell, G. et al. | 1982
- 5184
-
Resolution of the velocity autocorrelation function in fluids at various density statesEndo, Homare / Endo, Yoshikazu / Ogita, Naofumi et al. | 1982
- 5191
-
Uniform semiclassical quantization of regular and chaotic classical dynamics on the He´non–Heiles surfacea)Jaffe´, Charles / Reinhardt, William P. et al. | 1982
- 5204
-
Approximate constants of motion for classically chaotic vibrational dynamics: Vague tori, semiclassical quantization, and classical intramolecular energy flowShirts, Randall B. / Reinhardt, William P. et al. | 1982
- 5218
-
Atomization energies of the gaseous molecules SbLi, Sb2Li, SbLi2, Sb2Li2, and Sb3Li determined by Knudsen effusion mass spectrometryNeubert, A. / Zmbov, K. F. / Gingerich, K. A. / Ihle, H. R. et al. | 1982
- 5224
-
Evidence for a molecular intermediate during the oxidation of aluminum by waterSzalkowski, F. J. et al. | 1982
- 5228
-
Vibrational spectra of atomic adsorbatesDubois, L.H. et al. | 1982
- 5228
-
Vibrational spectra of atomic adsorbates: Carbon, oxygen, and sulfur on Rh (100)Dubois, L. H. et al. | 1982
- 5234
-
On heterogeneous catalysis near magnetic phase transitions of the catalystHentschel, H. G. E. / Procaccia, I. et al. | 1982
- 5242
-
The microwave spectrum and molecular structure of the furan–argon complexKukolich, S. G. / Shea, J. A. et al. | 1982
- 5243
-
Fluorescence polarization as a probe of molecular autoionization| 1982
- 5245
-
Structure of sodium cyanide by molecular beam electric resonance spectroscopyvan Vaals, J. J. / Meerts, W. Leo / Dymanus, A. et al. | 1982
- 5247
-
On self‐trapping of CO2 (ν3) fluorescenceCaledonia, G. E. / Green, B. D. / Murphy, R. E. et al. | 1982
- 5249
-
Scaling theory and enthalpy of mixing for binary fluidsten Brinke, G. / Karasz, F. E. et al. | 1982
- 5250
-
On the lowest sigma and pi anion states of Be2 and Be3Jordan, Kenneth D. / Simons, Jack et al. | 1982
- 5252
-
Franck–Condon factors with vibration–rotation interaction for Morse oscillatorsRamjee, M. / Rao, M. L. P. / Rao, D. V. K. / Rao, P. T. et al. | 1982
- 5253
-
Mobilities of CH+n (n=0 to 3) in He and of CH+3 in ArPeska, K. / Sto¨ri, H. / Egger, F. / Sejkora, G. / Ramler, H. / Kriegel, M. / Lindinger, W. et al. | 1982
- 5255
-
Statistics of polymer chains. The freely rotating chain and its diamond lattice versionBaram, Asher et al. | 1982
- 5256
-
Existence of solutions to spherical moving boundary problemsVrentas, J. S. / Vrentas, C. M. et al. | 1982
- 5258
-
Comments on ‘‘A new method of deriving electrical double layer equations from electrolyte theories’’Lozada‐Cassou, Marcelo et al. | 1982
- 5259
-
Erratum: Calculation of NMR chemical shifts. II. Comparison of the SOS and FP methods [J. Chem. Phys. 74, 6988 (1981)]Fukui, H. / Yoshida, H. / Miura, K. et al. | 1982
- 5260
-
Erratum: 13C/12C and 18O/16O liquid–vapor isotopic fractionation factors in CO as a function of temperature [J. Chem. Phys. 70, 5731 (1979)]| 1982