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  • 1
    ISSN: 0192-8651
    Keywords: Gaussian ; massively parallel ; performance ; Cray T3E ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Gaussian-94 is the series of electronic structure programs. It is an integrated system to model a broad range of molecular systems under a variety of conditions, performing its calculations from the basic laws of quantum chemistry. This new version includes methods and algorithms for scalable massively parallel systems such as the Cray T3E supercomputer. In this study, we discuss the performance of Gaussian using large number of processors. In particular, we analyze the scalability of methods such as Hartree-Fock and density functional theory (DFT), including first and second derivatives. In addition, we explore scalability for CIS, MP2, and MCSCF calculations. Scalability and speedups were investigated for most of the examples with up to 64 process elements. A single-point energy calculation (B3-LYP/6-311++G3df,3p) was tested with up to 512 process elements.   © 1998 John Wiley & Sons, Inc.   J Comput Chem 19: 1053-1063, 1998
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The design, development and performance of the time-of-flight (TOF) small-angle diffractometer (SAD) at the Intense Pulsed Neutron Source (IPNS) at Argonne National Laboratory are described. Similar TOF-SANS instruments are in operation at the pulsed neutron sources at Los Alamos National Laboratory, USA, at Rutherford Appleton Laboratory, England, and at KEK, Japan. These instruments have an advantage by comparison with their steady-state counterparts in that a relatively wide range of momentum transfer (q) can be monitored in a single experiment without the need to alter the collimation or the sample-to-detector distance. This feature makes SANS experiments easy and very effective for studying systems such as those undergoing phase transitions under different conditions, samples that cannot be easily reproduced for repetitive experiments, and systems under high temperature, pressure or shear. Three standard samples are used to demonstrate that the quality of the SANS data from SAD is comparable with those from other established steady-state SANS facilities. Two examples are given to illustrate that the wide q region accessible in a single measurement at SAD is very effective for following the time-dependent phase transitions in paraffins and temperature- and pressure-dependent phase transitions in model biomembranes.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 33 (1977), S. 962-967 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The method of determining corrections to neutron time-of-flight diffraction data by Monte Carlo techniques is costly since a large range of neutron wavelengths must be considered. An optimized simulation is presented in which many wavelengths are considered simultaneously, while paths are traced only once for all wavelengths. Collision positions and scattering angles are selected from cumulative distribution functions representing all neutron wavelengths simulated. The scattered intensity is computed by weighting the simulated paths to account for the probability of their occurrence for each wavelength. The results of a calculation for a vanadium slab are given as an example.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 33 (1977), S. 954-961 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A Monte Carlo computer simulation of a neutron diffraction experiment is presented which is of particular use for systems where the structure factor modulates considerably. The program has been optimized by forcing successive scattering events to occur within the specimen under study, and by calculating the score into the detector at each scattering point to allow each simulated path to contribute to the detected scattered intensity. A method of determining the multiple scattering correction for time-of-flight diffraction is shown, and the results of such an analysis are presented for a specimen with intense forward angle scattering and strongly varying S(Q).
    Type of Medium: Electronic Resource
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  • 5
    ISSN: 1750-3841
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Subjective ratings for muscle color and firmness were utilized to segment 299 fresh hams into four different quality groups (low, average, high, dark and soft). Individual hams were pumped to 115% of their green weights with a 62° brine (8–2–2 mixture) by either an artery (188 hams) or stitch (111 hams) brine injection system and then held at 3°C for a 21-day brine equalization period. The hams were then washed, placed in stockinettes and smoked. Prior to smoking, individual hams were assigned to one of six smoking schedules which were based upon three different levels of relative humidity (40, 60 and 80%) and two heating schedules (60, 71, 82°C and 49, 60, 71°C, dry bulb). Center-cut slices (1.25 cm thick) were removed from five or six average quality hams in each smoking schedule. Three 0.3 cm thick slices were removed from the top (medial side) and two 0.3 cm thick slices from the bottom (lateral side) of each center-cut slice for smoke deposition determinations (phenolic compounds). Artery-pumped hams produced significantly higher processing yields than the stitch-pumped hams. Smoke deposition was not affected by method of brine injection. Processing yields were significantly lower for the low-quality group of hams. Smoking schedules employing the lower smokehouse temperatures and relative humidities (40 and 60%) produced higher overall processing yields. At the higher temperature schedule, 60% relative humidity decidedly reduced overall processing yields. Processors desiring to use higher smokehouse temperatures should use a relative humidity greater than or less than, but not equal to, 60% to optimize processing yields. The concentrations of phenols observed in all six treatments would result in acceptable smoke flavor ratings.
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  • 6
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of food science 43 (1978), S. 0 
    ISSN: 1750-3841
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Environmental conditions (temperature, humidity and air velocity) were monitored inside refrigerated trailers loaded with beef carcasses during stationary and in-transit trials. The effects on meat color maintenance were followed on meat samples located throughout the trucks. The effect of initial carcass heat load on color maintenance during transport was studied utilizing a simulated trailer environment. Results show that an excellent environment is maintained in refrigerated trailers for beef color maintenance in-transit despite fluctuations in outside temperature and over-the-road conditions. Results from tests in which carcasses with elevated internal round temperature (15°C) were held in a simulated trailer environment suggests that shipping of such carcasses in refrigerated trailers could lead to bacterial growth and discoloration in-transit.
    Type of Medium: Electronic Resource
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  • 7
    ISSN: 1750-3841
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The longissimus and semimembranosus muscles were obtained from 5 carcasses of each of 13 breeds or breed crosses. These carcasses exhibited small and modest degrees of marbling and were obtained from cattle fed on an 85% concentrate ration for the same length of time. Palatability, shear force and cooking loss data were recorded after ovenroasting longissimus and semimembranosus steaks and braising semimembranosus steaks. Roasted longissimus steaks had more desirable (P 〉 0.05) flavor, juiciness, tenderness, amount of connective tissue and overall satisfaction scores with less cooking losses than roasted semimembranosus samples. Roasted semimembranosus steaks possessed more desirable (P 〉 0.05) flavor, juiciness, tenderness and overall satisfaction scores than braised semimembranosus steaks. Neither breed nor the interaction involving breed with muscle location-cooking method proved to be significant (P 〈 0.05) factors affecting palatability traits. Correlation coefficients were extremely low between palatability attributes of the longissimus and those of the semimembranosus. Likewise, relationships were small in magnitude among palatability traits obtained from roasted semimembranosus vs those noted for the braised semimembranosus. These results imply that palatability values obtained for one muscle or by one method of cookery have low predictive capabilities for another muscle or method of cookery when steaks are derived from cattle possessing very limited differences in maturity, marbling and preslaughter management.
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  • 8
    ISSN: 1750-3841
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The effects of three levels of fat (25, 30 and 35%), nonfat dry milk (NFDM) (0, 5 and 10%) and added water (yields of 115, 130 and 125% of the original meat block) on the sensory qualities of spiced luncheon loaves were evaluated. A 20-member trained taste panel evaluated each loaf for color, flavor, firmness and general acceptability characteristics and a Universal Instron Testing Instrument was employed for objective texture measurements. Fat level and added water (yield) had highly significant (P 〉 0.01) effects on color while fat level influenced the flavor characteristics of the product. All variables tested significantly (P 〉 0.01) affected firmness, while fat content influenced (P 〉 0.01) the general acceptability of the loaves. For all responses measured, a significant (P 〉 0.05) interaction between levels of fat and NFDM existed. Taste panel members indicated a preference for loaves containing 30% fat and 5.0% NFDM. Color scores and firmness decreased as the amount of added water increased. Product shrinkage increased as added water (yield) was increased but decreased as the amount of NFDM was added to the formula.
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  • 9
    ISSN: 1745-4573
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Process Engineering, Biotechnology, Nutrition Technology
    Notes: Precooked, small-portion, microwave-reheatable steaks were processed from three grades (US Choice, US Select+, and US Select-) of top round beef. Marinated/tenderized samples were compared to nonmarinated/nontenderized controls from each grade. Untrained consumers (n=102) rated the sensory attributes, overall acceptability, and willingness to purchase the steaks at various settings (fast food, restaurant/cafeteria, supermarket). Marination and tenderization improved the sensory attributes, overall acceptability, and consumers' willingness to purchase the steaks, regardless of the grade from which they were prepared. Marinated/tenderized steaks from the US Select grade were more acceptable than nonmarinated/nontenderized steaks from the US Choice grade. Marinated/tenderized steaks from each grade required less force and energy to cut, contained about 3% more moisture and 0.5% less fat, and had more cooking loss than their control counterparts. However, consumers rated the marinated/tenderized products as being more tender, juicy, flavorful and more acceptable overall than controls.
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  • 10
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of food science 44 (1979), S. 0 
    ISSN: 1750-3841
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: 21 different sausage meats were chemically analyzed to determine the amounts of total collagen, insoluble collagen, and percentage soluble collagen present in each meat. A simple cookout test was also conducted to determine its usefulness in evaluating the bind characteristics of raw sausage materials. Values for total collagen, insoluble collagen, and percentage soluble collagen were quite variable among the meats sampled. Of the three collagen profile components studied, only percentage soluble collagen was observed to, be highly related to the binding characteristics of meat. Values for milliliters of fat and water lost during cooking were not significantly related to bind values. This study indicates a need for additional research to investigate the role of collagen profile components in the I formation of sausage batters.
    Type of Medium: Electronic Resource
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