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By Steve Wilkinson

"""Techniques for coarse-particle beneficiation of some gold ores and methods for determining potential for sorting any gold ore deposit.""With the advent of high speed computers, laser technology end different types of electronic sensing devices, ore sorting machinery has been developed, capable of handling significant tonnage rates while maintaining high level efficiency. Gold ores may be amenable to coarse-particle beneficiation where there exist measurable criteria upon which there can be recognition of auriferous versus barren lumps in the run of mine. Three types of criteria are suitable for sorting and are:i) Photometric - optical variance between ore and waste such as vein ores hosted by barren country rock;ii) Conductivity/Magnetic - based upon the metallic mineral content of ore end waste, and its association with Au, such as found in sulphide/arsenide Au ores,iii) Radtometric - detection of natural gamma activity occurring with uranium-bearirig gold ores.The method for determining the sortability of an ore depositconsists of, at least, three stages:i) Initial stage identification of ore and waste types,mineralogical/petrographical associations,amount of dilution in P.O.M.establishment of any sorting criteria]"

Jan 1, 1985

By Nick Hazen

Many successful actions are required to bring a profitable extractive metallurgical operation into production. Competent process development performed within the project development schedule increases the chances of obtaining project financing and decreases the risk of engineering design errors being built into the commercial plant. The general sequence of steps in process development is well known: technology review, desktop studies, scoping studies, prefeasibility, and so on, with an increasing requirement for experimental evidence as the studies advance. This paper suggests principles for guiding process development work so that the efforts stay on track toward a smooth startup and a profitable commercial operation. It emphasizes closely aligning the research with the corporate goals of the mining company management, understanding the mineralogy and variability in the deposit, and guiding by flowsheet and material balance. Examples of hydrometallurgical process development leading to the early use of solvent extraction in the mining industry are given.

Jan 1, 2014

By R. Tervo, G. Ellie

"Automated information systems are being developed very rapidly in Europe. In France, Belgium and West Germany, more than 70% of the coal production is controlled by these installations. Information on both product ion and the mine environment is produced. For example, at one mine in France the system records the operating times of the compressors and of the refrigeration pumps, counts the number of coal cars passing the unloading point, and controls the principal conveyors and the loading /unloading of the storage bins. In addition, the ventilation air velocity, the methane content and the carbon monoxide content in the return air entry are recorded; an alarm is triggered and the current to the conveyors cut when the gas content exceeds a critical level. The recorded information is used at four levels: (1) for immediate action, (2) for daily reports, (3) for monthly reports and (4) for long-term studies. For example, when any conveyor is stopped for more than 10 minutes, the system controller immediately telephones to learn of the reason. At the end of a shift, the load factor of the conveyors is computed; then monthly an analysis of the causes of low load factors is made. The presentation describes in detail the system that has been installed in more than 20 mines in France."

Jan 1, 1973

By M. B. McClenaghan, O. P. Lavin, Ian Nichol

"Abstract-Exploration in most areas of Canada has to contend with problems posed by glacial overburden. In many areas exploration for gold has been based on the sampling of tills, frequently by deep overburden drilling, and analyses of heavy mineral concentrates. Notwithstanding the significant role that till geochemistry has played in the discovery of some important gold deposits over the last few years, increased appreciation of the nature of the glacial history and stratigraphy and the character of gold within till has led to the recognition of a number of ways whereby the effectiveness of exploration can be improved upon.In order for till geochemistry to be useful in exploration, a number of conditions must be fulfilled, including:1. mineralization, or alteration halo related to mineralization, subcropping at the bedrock /over­ burden interface; 2.glacial erosion and dispersal of a recognizable signature of mineralization into the glacialsediments; 3, preservation of glacial sediments containing this geochemical component (trace metal or mineral) at positions subsequently selected for sampling (normally drill sites); 4. correct identification of specific till units and associated ice movement history; 5. collection of adequately large and representative samples; 6. appropriate sample preparation and processing; 7, appropriate geochemical analyses; and 8. correct data processing and interpretation.While we have no control over the first two geological conditions, and only limited controlover till availability, we can control the quality and thoroughness of sampling, sample identification, sample preparation, analysis and interpretation. In particular attention needs to be focussed on obtaining a large enough sample to be adequately representative, an unbiased sample must be collected, together with appropriate sample processing, analysis, data processing and interpretation. It is considered that by modifying or extending existing approaches to gold exploration the chances of exploration success can be increased. In particular, analyses of both the heavy mineral and minus 63 ?m fractions of till is recommended because gold in till may occur in different size fractions."

Jan 1, 1992

By G. Stenning

The paper outlines the need for high-volume ventilation in a uranium mining operation based on the design to meet environmental requirements for dust, radiation and diesel equipment. Mining methods in a highly mechanized operation, a key factor in design, are discussed. The construction and installation of major intake and exhaust fans are described briefly, together with the development of the mine airways and distribution system. Controls in the form of doors and bulkheads are important considerations in planning. Finally, the need to lower ventilation requirements in response to increasing power costs will result in future improvements.

Jan 1, 1979

By T. MacKinnon, M. C. Bétournay, D. Eastick, F. C. Delabbio, C. Graves

"The successful implementation of a new technology in an underground production mine requires many challenges to be overcome. These challenges include mine hardening of new technology, mitigation of safety risks and hazards, mine operation support, and technology transfer to mine staff. In the end, the majority of these challenges relate to the human aspects of implementation. The approach selected to overcome these challenges must be customized and appropriate for each unique situation.This paper outlines the approach used to address these challenges as part of successful implementation and resulting demonstration of the hydrogen fuel cell locomotive at the Placer Dome (CLA) Limited Campbell Mine. This technology demonstration at Campbell Mine is critical for determining technical, regulatory, and implementation aspects to be incorporated into future fuel cell prototypes such as the LHD project."

Jan 1, 2005

In this paper, geostatistical techniques are applied to forecast the annual copper price in the short and medium terms (from one to five years ahead). These techniques allow the incorporation of monthly and multivariate information in the analysis and provide more accurate results than traditional approaches, especially as far as the one-year forecast is concerned. A second advantage of geostatistics stems from its ability to assess the uncertainty associated with the unknown future prices, thanks to estimation variances or confidence intervals, depending on the technique used. Such an assessment has a crucial importance in decision-making, from both macroeconomic and microeconomic points of view

Sep 1, 2004

By T. Thriveni, Ji Whan Ahn

"The current advanced technologies for the manufacture of light weight metals processing significantly increasing and attributes to the safety, performance, recyclability and economy. Still lack of technologies developed for light weight metals processing waste utilization and application. Environmentally friendly methods need to develop for better understanding the processing waste utilization. Alumina and aluminium processing creates a wide range of waste products, the most significant being is red mud. Bauxite residue is a high volume hazardous waste and nearly 3 billion tons have been dumped worldwide. Approximately, 120 Million tons/yr of red mud being produced without any environmental sustainable solution. Currently the most significant technology is waste utilization. The bauxite residue is suitable for road base construction, golf bunker sand, back fill and, general fill. Sustainable recycling technologies are necessary for the bauxite residue utilization for the recovery of rare earth elements and cement materials. Carbonation or CO2 sequestration of carbon dioxide is a method pioneered for the bauxite residue is modified to reduce alkalinity. The carbonation of alkaline material is an inexpensive and safe process that leads to the formation of thermodynamically stable products. The use of the carbonation can be an advantageous solution for environmental climate change and sustainability problems in the new century.INTRODUCTIONIn 2014, bauxite consumption was estimated to be 9.6 million tons, nearly all of which was imported, worth an estimated 269 million dollars. More than 95% of the bauxite was converted to alumina, and the remaining 5% went to non-metallurgical products, such as abrasives, chemicals, proppants, and refractories. Global aluminum demand is growing steadily spurred by growth in India and China (RBCAluminum Market Outlook, 2013) (Figure 1). Aluminum consumption is expected to rise 5% annually through the end of the decade, reaching 67 million tons per year by 2020. Global bauxite production decreased by 17% from that of 2013, principally owing to lower production in Indonesia. In response to a Government ban on exporting bauxite and other unprocessed mineral ores that took effect on January 12, 2014, bauxite mines throughout Indonesia shut down and production decreased from 55.7 million tons in 2013 to an estimated 500,000 tons in 2014. The ban was part of a mining law that was instituted in 2009 to increase development of downstream processing facilities in Indonesia."

Jan 1, 2016

By K. Trapani

"The study undertaken aims to investigate an ice stope heating and cooling system for its potential to be implemented in sub-arctic mines, as a low carbon alternative to conventional natural gas and refrigeration chiller systems. Its performance was simulated for a years’ worth of data, taking into consideration hourly temperature data. Results showed that to supply the required heating and cooling loads, the ice stope system had to supplement its heating with natural heating. The techno-economic performance of this system was compared to that of a conventional heating and cooling system in a mine, with the ice stope thermal storage system hawing the lowest annuitized cost and significantly lower carbon emissions.INTRODUCTIONConventional heating and cooling, in a mine is implemented using natural gas heaters and chiller refrigeration systems respectively. This results in a significant portion of energy consumption in underground mines attributable to ventilation (De Souza, 2015), including the conditioning of the air to ensure that temperatures do not exceed work comfort standards (ACGIH, 2011). Especially at depth where heat could become a significant issue. An ice stope thermal storage, using ice as the storage medium is being proposed as an alternative to provide the heating and cooling—with the ice creation resulting in heating and the ice melting providing the cooling required. A techno-economic investigation of the two systems is undertaken to identify the capital and operating costs for the two systems, and to assess the ice stope’s potential to be considered a low cost and carbon solution for heating and cooling of mines in sub-arctic climates.NATURAL STORAGE SYSTEM – CONCEPT DEVELOPMENTThe concept for the natural storage system is developed from the ice stope at Frood-Stobie Mine, ON, Canada (Stachulak, 1991). The ice stope was developed for mine air heating, with the heating occurring by spraying warm return service water onto the cold intake air—resulting in the air temperature increasing and ice being created in the stope. In summer this ice was melted by passing warm air on top of it, resulting in slight cooling of the air but no significant temperature difference which could allow effective cooling. A schematic of the Frood-Stobie Mine ice stope is provided in Figure 1."

Jan 1, 2019

By L. Don Leet

Abstract Earthborne vibrations from blasting and other sources, including rock bursts, can now be recorded effectively. The nature and magnitude of vibrations from various sources have been investigated and certain applications of the knowledge thus gained have been made. Vibrations from blasting have been measured on special equipment over a range from an electric blasting cap at a few feet, through the largest quarry shot in history to date ( 1,-362,985 lb.), to the first atomic bomb, in uew Mexico on July 16th, 1945. Laws relating amount of explosive to amount of vibration at different distances have been developed and tested. Special studies have been made of the effects of vibrations on buildings, particularly from the standpoint of possible structural damage. Recorded vibrations are used to study the effects of modern short-period delay shooting. It ?has been found that short-period delay firing is extremely effective in reducing vibrations under the right conditions, but with certain limitations. In quarry shooting, there appears to be a minimum number of holes below which vibrations are not appreciably reduced by short-period delay firing. In several instances this minimum has been near 7. Vibrations in the ground from rock bursts and the effects of mining in stresesd ground have been studied both underground and on the surface in a search for a rock burst warning system. Introduction Earthborne vibrations from blasting and other sources, including rock bursts, can now be recorded effectively. Analyses of blasting records have been yielding increasing funds of information of practical as well as theoretical interest. The nature and magnitude of the vibrations have been investigated with special reference to their effects on structures.

Jan 1, 1951

By E. Peters

Roasting processes are divided into several elementary mechanisms, any of which could be significant or pre-dominant in a particular roast. The elementary processes considered in-elude beat transfer, gas-solid inter-actions with accompanying mass transfer between the bed and furnace atmosphere, vapor phase transport processes in solid-solid interactions, and solid phase diffusion processes. Examples are chosen of processes in which one of these mechanisms pre-dominates and some recently obtained data is presented to support the existence and significance of these mechanisms. Proposals are also made for future research in these areas, and for utilizing the information in the improvement of roaster capacities’ OASTING of ores as a preparative treatment for smelting or leaching has been practiced for so long that its origin has been lost in antiquity, but little has been under-stood of its basic nature until fair-ly recent times. The nominal chemistry of roasting processes is now understood; that is, the initial chemical com-pounds present in the ores or con-

Jan 1, 1961

By S. Schwartz, T. Bilney

"Over recent years a number of techniques have been developed as part of the AMIRA1 P9 project to represent mathematically or measure directly sub-processes occurring in flotation cells. These include the determination of:•,?a machine parameter (bubble surface area flux, Sb);•,?a froth parameter (froth recovery, Rf );•,?entrainment and drainage parameters (???and d); and•,?an ore floatability parameter (Pi).These flotation parameters allow the plant engineer to develop a model of the flotation circuit that can be used as a powerful tool to diagnose the performance of that circuit. The recently developed JKSimFloat V6 flotation simulator uses these parameters to predict the flotation circuit performance that would arise from changes in operating conditions and circuit configuration.This new flotation technology was applied to the Placer Kanowna Belle Gold Mine in Western Australia. A series of plant surveys, cell characterisation measurements and laboratory batch tests were conducted to determine the flotation circuit model parameters to be used within the JKSimFloat V6 simulatorA thorough flotation circuit analysis was then performed at Kanowna Belle using JKSimFloat V6. The recommendations that were provided by this circuit analysis have resulted in large improvements in the flotation performance at Kanowna Belle. These include a 1.3% increase in flotation gold recovery and a substantial decrease in operating costs. The analysis is still ongoing, however, the benefits already obtained from applying this technology have resulted in a US$1.3 million a year improvement to the mine."

Jan 1, 2005

By Peter Wells, Gordon Marrs, Dominic Fragomeni, Warren Holmes, Daryl Macnamara

"LocationThe Strathcona mill ofFalconbridge Limited is located in Onaping, Ontario, 50 km northwest of Sudbury.GeneralOre from the Falconbridge mines in the Sudbury Basin (Strathcona, Fraser, Onaping, Craig and Thayer Lindsley mines) is processed through the Strathcona mill with 8500 t of nickel ore and 1500 t of copper ore being treated daily. Current capacity is -3 Mt of ore at 1.8% Ni, 1.9% Cu combined grade. Custom feeds are also processed. The valuable minerals in the ore are pentlandite (FeNi)9S8, chalcopyrite (CuFeS2) with some cubanite (CuFe2S3) and very minor nickel sulphides/ arsenides. Cobalt is present mainly in solid solution in pentlandite. There are small but economically important concentrations of precious metals including platinum, palladium gold, and silver. The common non-sulphide gangue minerals are feldspar, quartz, mica, talc, and chlorite while pyrrhotite (Fe7S8) is the major gangue sulphide. The pyrrhotite contains between 0.6% and 1.2% nickel in solid solution and additional nickel as exsolved pentlandite in micron sized blebs. The nickel and copper ores are batch-crushed in a two stage dry crushing plant and then ground in separate circuits. Concentration by flotation and magnetic separation produces a nickel concentrate assaying approximately 16% nickel plus copper and a copper concentrate assaying 30% copper and 0.4% nickel. The nickel concentrate is trucked as a slurry to the Falconbridge smelter while the copper concentrate is trucked as filter cake to the Kidd Division of Falcon bridge"

Jan 1, 2000

By B. Konda, R. Lauer, D. Camilucci, D. Gladwin

"Income based taxes are significant cost elements to be considered in evaluating investment in new mine development. This paper presents the results of comparative analysis of effective income-based tax rates for mining in the Northwest Territories (NWT), selected Canadian provinces and international jurisdictions. The study was done as background to a review of royalty regulations for the NWT. ObjectiveThis paper presents results of comparative analysis of effective mining royalty1 rates, and combined effective mining royalty and income tax rates on selected mine models for the Northwest Territories (NWT), with those for several other jurisdictions in Canada and abroad which compete with the NWT for mining investment.BackgroundThe February 27, 1995 federal budget directed the Department of Indian Affairs and Northern Development (DIAND) to proceed with a comprehensive review and amendments to northern natural resource management legislation in order “to increase revenues and ensure a fair return to the Crown.” DIAND is responsible for the administration of the Territorial Lands Act, and its regulations.The Territorial Lands Act gives the Governor-in-Council the authority to “… make regulations for the leasing of mining rights in, under or on territorial lands and the payment of royalties therefor,…”. In the NWT, the Canada Mining Regulations (CMR) provide for the disposition of mineral rights for most minerals, other than coal, petroleum and related hydrocarbons, in return for the payment of a royalty to the Crown.As part of this review of the NWT mining royalty regime, several computer mine models were developed and tax regimes in a number of jurisdictions were analyzed. Effective mining royalty rates, and the combined effective mining royalty and income tax rates were compared across the jurisdictions. The results presented in this paper are a part of the background work done in preparing a discussion paper on proposed changes to the NWT mining royalty that is expected to be released for public consultation in the very near future."

Jan 1, 1997

The use of QemSCAN in providing mineralogical input to detailed ore and product characterization has proved of immense value in recent years. In this paper, a brief review of selected Cu-case studies is presented to demonstrate the versatility of automated, quantitative mineralogy by QemSCAN. This versatility ranges from measurement and analysis strategies through to data processing and presentation. As a rapid diagnostic service, it is common to find that only grain size, the degrees of liberation and/or ore mineral modal mineralogy are of interest. By contrast, the detail afforded by the simultaneous determination of both gangue and ore minerals can alert mineral engineers to fatal flaws and attributes deleterious to processing that are directly a function of silicate and other gangue mineralogy. Examples of the latter effects include the influence of micaceous minerals and acid consuming species, while the former include fluorine minerals, which can provide both processing and environmental challenges.

Jan 1, 2007

By J. L. Bowlby

TWO years ago, at the annual meeting of this Society, the writer presented a paper dealing with various aspects of the water problems existing in the Cape Breton coal-mining area. Much of that paper was of a theoretical nature, in that an attempt was made to get at the fundamental principles underlying the problems, in order to establish a sort of background against which future results could be laid. Up to that time, only Central power plant in Glace Bay had been under observation, and, since the work had been in progress only a year, it was recognized that there were strong possibilities that certain variations in procedure might have to be introduced as w; became better acquainted with our problem. We were by no means certain that we had covered all the facts of the case. The present paper will therefore be of the nature of a progress report, rather than a formal contribution to the Society. Subjects of a theoretical or academic nature will be avoided as far as possible, attention being confined chiefly to the results obtained during the past two years. In looking over the work with low-pressure boilers, there are certain general conclusions that can apparently be safely drawn. Wherever possible, proper operating conditions will be expressed in terms of appropriate units. Absence of corrosion in boilers where the alkalinity has been maintained within the pH range 11.0 to 11.4 forces one to the conclusion that these are safe working limits. Previous experience had shown that corrosion would occur if the alkalinity were much reduced. Higher alkalinities are un-necessary, more expensive, and are said to introduce the possibility of pitting. We made no attempt to obtain quantitative data in respect to pitting. It is said to occur at pH 12.0. Consequently, conditions of alkalinity were main-tained well below this figure. In the above paragraph, the pH range 11.0 to 11.4 applies to boiler waters which have received the lime and soda treatment. The general practice, when this treatment is employed, is to use 1.0 lb. lime to 7.0 lb. washing soda. At Central power plant, soda-ash is at present substituted for washing soda, the equivalent proportions being kept the same. But not all the plants are on the lime and soda treatment. At Waterford Lake, a 1: 1 mixture of soda-ash and trisodium phosphate is satisfactorily employed, and in Sydney Mines and at No. 3 power plant in Sydney, good results are being obtained at a somewhat greater cost with a commercial phosphate treatment.

Jan 1, 1936

By R. Bonifaz, R. Subiabre

The Chagres Smelter, part of the Anglo American plc group, situated 80 Km north of Santiago in Chile, completed a series of operational improvement in 2005 resulting in an optimum capacity in its operational units. At present the Chagres Smelter has developed an operational strategy which seeks to reduce bottle-necks in the production process. In this way we have managed to lower operational cost, decrease energy consumption and maximize the capacity of the Acid, Oxygen, and Smelting, Converting, Refining and Casting units. A constant review of international benchmarks together with continuous staff improvement and the latest smelter technology have combined to place Chagres among the finest smelting works in the world. In response to environmental challenges, we have studied various options for investment that will yield a suitably profitable business to benefit both Anglo American and Chile. The most relevant technical indicators are: energy consumption=6,3 GJ/ton fine copper (1st in the world), intensity of smelting rate in Flash Smelting unit of 6,900 ton of copper concentrate/m2 of furnace area (1st in the world) and to be one of the top five smelters in achieving the lowest direct cash cost .

Jan 1, 2007

By J. A. King, D. A. Knight

"The Porgera orebody is located in mountainous terrain in Enga Province, Papua New Guinea. An underground mine has been developed which produces up to 2000 t/d of ore grading over 2 ozs Au/t. Some 79% of the gold in the ore is free, with the balance in a highly refractory form as sub-microscopic gold evenly disseminated within a pyrite matrix.This paper describes the metallurgical plant that uses flotation and cyanidation circuits to effectively recover the free gold in the ore feed, allowing for wide variation in the gold head grade. The refractory gold component in the ore is stored as leached pyrite flotation concentrate and this concentrate will be later treated by autoclaving techniques to recover the contained gold.The ProiectThe property is located in the Porgera Valley 600 Km North West of Port Moresby. The remote location is 2500 m above sea level. The mine area has 3600 mm of annual rainfall and a temperate climate with temperatures ranging from 10° c to 22° c throughout the year.Alluvial gold was reported in the Porgera area in 1938 and has been an important source of revenue for the area for many years. Intermittent exploration was carried out until the 1960 1 s when Placer (PNG) Pty. Ltd. with Mt. Isa Mines commenced an extensive exploration program. The property was brought to production in 1990 by the Porgera Joint Venture group consisting of Mount Isa Mines Ltd, Rennison Goldfield Consolidated Ltd. and Placer Dome Inc, each with a 30% ownership and the Government of Papua New Guinea with a 10% share. Placer Dome Inc. is the manager of the property with construction under the direction of the Placer Dome Technical Services group."

Jan 1, 1992

By H. Utsunomiya, J. Su, K. S. Tamimi, S. Yue, M. Sanjari, L. Kestens, A. S. Kabir, R. Petrov

The recrystallization and texture evolution of AZ31 sheets obtained through two stages was investigated at different stages of post-rolling annealing. The specimens were rolled at the temperature of 100? and at a fast speed of 1000m/min and low speed of 15m/min with a reduction of 30% in one pass. The results show thatAZ31B sheets rolled at 15 m/min and 100 °C has fractured for reductions of more than 30% per pass. However, by increasing the rolling speed to 1000 m/min the rollability was improved significantly and the material can be rolled to reductions of more than 70% per pass. The high speed and heavily deformed materials are fully recrystallized even at 100 °C.

Jan 1, 2015

By Fernando Canales

In the last decade a great dealt of attention has been paid to the chemistry of polynuclear gold derivatives with a central heteroatom, not only from the experimental and structural but also from the theoretical standpoint (1). Interesting hypercoordinated species of the type [C(AuPR3)5]+, [C(AuPR3)6]2+, [N(AuPR3)5]2+, [P(AuPR3)5]2+ and [P(AuPR3)6]3+ have been described (2), apart from other complexes with more conventional stoichiometry, and all have in common the presence of gold-gold interactions of ca. 3 Å. Usually, the chemistry of the first row elements of the p-block is known to follow classical rules of bonding, and only in cases of extreme electron-deficiency has the traditional electron count to be reconsidered to account for special types of molecular or solid state structures. Many of these heteroatomcentered complexes are electron-deficient and the gold-gold interactions provide a significant contribution to their stability. The attraction between these closed-shell systems has recently captured the attention in inorganic and organometallic chemistry (1). P. Pyykkö has summarized the available theoretical and experimental evidence of intra- and inter-molecular interactions between heavy metal atoms, such as Au(I) (3). In general, when heavy metals are involved in such interaction, the closed-shell attractions are of metallophilic or van der Waals type, as has been found for d8, d10 coinage-metals, and d10s2 centers. Experimental evidence for the aurophilic Au(I)???Au(I) attraction is available from crystallography, NMR and Raman spectroscopies, and optical spectroscopic measurements of the interaction strength (4). It is manifested in molecular conformations with relatively close Au???Au interactions of ca. 3 Å, whose strength has been estimated at ca. 25-50 kJ/mol (5). These attractions are weaker than most covalent or ionic bonds, but stronger than other van der Waals bonds and comparable in strength to typical hydrogen bonds. The phenomenon cannot be satisfactorily explained by classical theories such as hybridization (3). From a theoretical point of view, the attractions close to equilibrium distances are caused by dispersive interactions together with relativistic effects (6). The attractive contributions are dominated by pair-excitations from the heavy metal, such as gold, strengthened by relativistic effects. In all the cases where there are inter- or intramolecular metal-metal attractions, the correlation effects are essential; if they are omitted, at the Hartree-Fock (HF) level, repulsive interactions are obtained (6). Hence, it is necessary to use at least second-order Møller-Plesset level (MP2) methods for the dispersive forces, which are included in the electronic correlation effects (7).

Oct 1, 2003