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211. A comparative theoretical study of the hydrogen bonding between cyanide or isocyanide hydrides and water

Author

Djebra-Belmessaoud, N., Nait Achour, M., Berthier, G., and Savinelli, R.

Subjects
*HYDROGEN bonding, *ISOCYANIDES, *HYDRIDES, *WATER, *BAND gaps, *DENSITY functionals, *COMPARATIVE studies, *OPTICAL isomers
Abstract

Abstract: MO and DFT calculations predict a lowering of about 30% of the energy gap between the stable and metastable pair HCN/HNC of cyanides when the two isomers are linked by H-bonds to water H2O and its first polymers. The value of about 11kcal/mol obtained both at the CCSD(T) and PW91PW91-DFT levels does vary hardly beyond the dimer. MP2 overrates the absolute magnitude of the gap, which precludes its exclusive use as a reference for the quality of the DFT functionals. The analysis of the –O…H– bonding in these complexes in terms of energy, geometry, electron distribution and vibration frequencies is consistent with a local picture where the role of the acidity of the hydrogen donor is dominating. [Copyright &y& Elsevier]

Published
2010
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212. Le décret 2001 – 1154 relatif à l’obligation de maintenance et au contrôle qualité des dispositifs médicaux : nature et répercussions pour un centre hospitalier général

Author

Minaret, G., Beyris, D., Berthier, G., Kouam, P., Richard, J.-C., and Gregoire, J.-M.

Subjects
*MEDICAL equipment, *QUALITY control, *SERVICE contracts, *BIOMEDICAL engineering, *TOTAL quality management
Abstract

Abstract: The decree 2001 – 1154 is making gradually effective the obligation of maintenance (maintenance or reestablishment of an equipment in an operating condition) and of quality control (operations carried out by the owner (IQC) and/or realized by an independent company (EQC), intended to evaluate the maintenance of performances of an equipment) of medical devices. The aim of this study was to dimension the impacts of this decree in the hospital complex of Mont de Marsan according to the phases of application which depend of the class CE and of the ionizing character of the devices. It was given that on the 317 devices concerned with the first phases of application (ionizing devices or devices used with the ionizing devices), 48 are correctly maintained, 14 are supervised in IQC and 0 in EQC. It results from this observations to release 965 working annual hours (all competences mixed) and to invest 74,000 € in annual maintenance contracts, 22,000 € in material of measurements and 26,000 € in annual services with close to companies of third party. On the 982 devices concerned with more remote phases of application (devices of IIb and III classes), 685 are correctly maintained, 683 are supervised in IQC and 0 in EQC. It results from this observations to release 1042 working annual hours (all competences mixed) and to invest 31,000 € in annual maintenance contracts, 54,000 € in material of measurements and 58,000 € in annual services with close to companies of third party. [Copyright &y& Elsevier]

Published
2004
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214. Enumeration: Numbers of Internal Vertices

Author

Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Cyvin, S. J., Brunvoll, J., and Cyvin, B. N.

Published
1991
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215. Anatomy: General Treatment

Author

Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Cyvin, S. J., Brunvoll, J., and Cyvin, B. N.

Published
1991
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216. Coronoids and Coronoid-Like Systems

Author

Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Cyvin, S. J., Brunvoll, J., and Cyvin, B. N.

Published
1991
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217. Primitive Coronoids (II) and Annulenes: Enumeration

Author

Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Cyvin, S. J., Brunvoll, J., and Cyvin, B. N.

Published
1991
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218. Enumeration and Classification of Coronoids with Definite Holes

Author

Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Cyvin, S. J., Brunvoll, J., and Cyvin, B. N.

Published
1991
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219. Enumeration and Classification of Non-Primitive Coronoids

Author

Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Cyvin, S. J., Brunvoll, J., and Cyvin, B. N.

Published
1991
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220. Enumeration: General Treatment and Coarse Classifications

Author

Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Cyvin, S. J., Brunvoll, J., and Cyvin, B. N.

Published
1991
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221. Primitive Coronoids (I) and Annulenes: Anatomy

Author

Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Cyvin, S. J., Brunvoll, J., and Cyvin, B. N.

Published
1991
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222. Coronoid Hydrocarbons

Author

Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Cyvin, S. J., Brunvoll, J., and Cyvin, B. N.

Published
1991
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223. Application of the FM to Models with Confining Potentials

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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225. FM and Vibrational Potentials of Diatomic Molecules

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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226. Application of the FM to the Zeeman Effect in Hydrogen

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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227. Application of the FM to the Stark Effect in Hydrogen

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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228. Application of the FM to the Anharmonic Oscillator

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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229. Perturbation Series Summation Techniques

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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230. Properties of the FM: Series with Zero Convergence RADII

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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231. Application of the VFM to One-Dimensional Systems with Boundary Conditions for Finite Values of the Coordinates

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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232. Properties of the FM: Series with Non-Zero Convergence RADII.

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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233. Foundations of the Variational Functional Method (VFM)

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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234. General Properties of the Eigenvalue Spectrum

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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235. Divergence of the Perturbation Series

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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237. Combination of VFM with RSPT: Application to Anharmonic Oscillators

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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238. Rayleigh-Schrodinger Perturbation Theory (RSPT)

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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239. The Semiclassical Approximation and the JWKB Method

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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240. Geometrical Connection Between the VFM and the JWKB Method

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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241. Application of the VFM to the Zeeman Effect in Hydrogen

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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242. Multidimensional Systems: The Problem of the Zeeman Effect in Hydrogen

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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243. Large Order Perturbation Theory and Summation Methods in Quantum Mechanics

Author

Arteca, G. A., Fernández, F. M., Castro, E. A., Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hinze, J., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Tomasi, J., editor, Arteca, G. A., Fernández, F. M., and Castro, E. A.

Published
1990
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245. Constraining projections of summer Arctic sea ice.

Author

Massonnet, F., Fichefet, T., Goosse, H., Bitz, C. M., Philippon-Berthier, G., Holland, M. M., and Barriat, P.-Y.

Subjects
*SEA ice, *ICE navigation, *SNOWMELT, *RUNOFF
Abstract

The article offers information on the analysis of summer Arctic sea ice. It states that the area of surviving Arctic sea ice at the end of the melt season, which is in September determines in large part the proportion of seasonal, first-year ice in the following months. It mentions that large uncertainties remain regarding the rate of decline of summer sea ice extent and the timing of icefree Arctic.

Published
2012
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246. Comparisons of atmosphere–ocean simulations of greenhouse gas-induced climate change for pre-industrial and hypothetical ‘no-anthropogenic’ radiative forcing, relative to present day.

Author

Kutzbach, J. E., Vavrus, S. J., Ruddiman, W. F., and Philippon-Berthier, G.

Subjects
*GREENHOUSE gases & the environment, *CLIMATE change, *RADIATIVE forcing, *HOLOCENE paleoclimatology, *EFFECT of human beings on climate change
Abstract

We compare climate simulations for Present-Day (PD), Pre-Industrial (PI) time, and a hypothetical (inferred) state termed No-Anthropogenic (NA) based upon the low greenhouse gas (GHG) levels of the late stages of previous interglacials that are comparable in time (orbital configuration) to the present interglacial. We use a fully coupled dynamical atmosphere–ocean model, the CCSM3. We find a consistent trend toward colder climate (lower surface temperature, more snow and sea-ice cover, lower ocean temperature, and modified ocean circulation) as the net change in GHG radiative forcing trends more negative from PD to PI to NA. The climatic response of these variables becomes larger relative to the changed GHG forcing for each step toward a colder climate state (PD to PI to NA). This amplification is significantly enhanced using the dynamical atmosphere–ocean model compared with our previous results with an atmosphere–slab ocean model, a result that conforms to earlier idealized GHG forcing experiments. However, in our case this amplification is not an idealized result, but instead helps frame important questions concerning aspects of Holocene climate change. This enhanced amplification effect leads to an increase in our estimate of the climate’s response to inferred early anthropogenic CO2 increases (NA to PI) relative to the response to industrial-era CO2 increases (PI to PD). Although observations of the climate for the hypothetical NA (inferred from observations of previous interglacials) and for PI have significant uncertainties, our new results using CCSM3 are in better agreement with these observations than our previous results from an atmospheric model coupled to a static slab ocean. The results support more strongly inferences by Ruddiman concerning indirect effects of ocean solubility/sea-ice/deep ocean ventilation feedbacks that may have contributed to a further increase in late-Holocene atmospheric CO2 beyond that caused by early anthropogenic emissions alone. [ABSTRACT FROM AUTHOR]

Published
2011
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247. Non-Diffusional Concentration Changes

Author

Britz, Dieter, Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hartmann, H., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Scrocco, E., editor, and Britz, Dieter

Published
1981
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248. Programming Examples

Author

Britz, Dieter, Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hartmann, H., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Scrocco, E., editor, and Britz, Dieter

Published
1981
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249. The Laplace Equation and other Steady-State Systems

Author

Britz, Dieter, Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hartmann, H., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Scrocco, E., editor, and Britz, Dieter

Published
1981
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250. Accuracy and Choice

Author

Britz, Dieter, Berthier, G., editor, Dewar, M. J. S., editor, Fischer, H., editor, Fukui, K., editor, Hall, G. G., editor, Hartmann, H., editor, Jaffé, H. H., editor, Jortner, J., editor, Kutzelnigg, W., editor, Ruedenberg, K., editor, Scrocco, E., editor, and Britz, Dieter

Published
1981
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