Search Documents

As REVISED IN CONFERENCE FEB. 17, 1931 REPORT OF SUBCOMMITTEE ON MINE VENTILATION CODE OF A, I. M. E. COMMITTEE ON VENTILATION ALFRED W. HESSE, Chairman THOMAS G. FEAR GEORGE S. RICE E. A. HOLBROOK WILLIAM A. ROWE HOWARD ECKFELDT R. V. NORRIS CADWALLADER EVANS, JR. H..1. SMITH, Secretary REALIZING, from the safety and health standpoint, the need of furnishing air of good quality to workers underground and of diluting and carrying away dangerous and noxious gases, the following code is offered to unify regulatory measures in coal mine ventilation, so far as is practicable, in the United States of America.

Jan 1, 1931

By N. Ripepi

"The Langmuir model has been widely used for the coal-methane sorption process via an isothermal test. However, even though the temperature-dependent Langmuir model were recognized theoretically and experimentally, the quantitative relationship between the Langmuir’s constants (a & b) and temperature have not been clarified and confirmed by lab test data. This paper collects 158 methane-coal sorption data under different temperatures, which apply the Langmuir model to consider the relationship between Langmuir’s constants (a & b) and temperature (see APPENDIX I). Even though the Langmuir model cannot be used to show the physical state of methane adsorption on coal, it is widely used because of its simplicity and the reasonable explanation of its parameters (a & b). The results from these published isothermal tests confirm that 1) there is no consistent relationship between Langmuir’s constant-a and temperature; 2) the Langmuir model is a temperature-dependent model, and the temperature-dependent feature is mainly shown by the relationship between Langmuir’s constant-b and temperature; 3) The relationship between Langmuir’s constant-b and temperature can be described by both the exponential and linear relationship with dried coal. This paper provides a database for temperature-dependent Langmuir’s model, which can be used for reservoir simulation of coalbed methane reservoir, coal seam degasification modeling for underground coal mines considering the heating effect induced by geotherm and heat injection (via hot water, hot steam, ultrasonic, etc.). INTRODUCTION The isothermal test for gas sorption on coal is one of the fundamental tests in Coalbed Methane (CBM) recovery fields, such as underground coal mine methane degasification, CBM gas-in-place estimation, and carbon dioxide sequestration in un-minable coal seams. Generally, two methods, volumetric and gravimetric, are employed to obtain isothermal data (Bush, A. & Gensterblum, Y., 2012). Based on these two approaches, a series of commercial and self-assembled instruments are built and several calculation methods are used to obtain isothermal data (Bush, A. & Gensterblum, Y., 2012, Gasparik, K., 2014; Goodman, A. L., et al, 2004; Zhang, L., et al, 2013). In the post-processing stage, many models are provided to analyze isothermal data in order to understand the storage mechanism of gas in coal. Common models include the Langmuir model (and its extended forms), the pore-filling model, multilayer adsorption model (BET), and the Gibbs’ model. Among these models, the Langmuir model is the most widely used for its simplicity and functionality. The Langmuir model is expressed as follows:"

Jan 1, 2016

By H. L. Holden

The single line grinding circuit at Bond Gold's Colosseum mine consists of variable speed drive semi-autogenous (SAG) milling and secondary grinding with a fixed speed ball mill. There are several advantages and disadvantages of operating SAG mills with variable speed drives. Discussion in this paper will focus on the effects of variable speed SAG milling in relation to mill liner wear, grinding media consumption, and mill operating availability. Operating experiences, corresponding mill data, and pertinent design changes are also presented.

Jan 1, 1991

By H. H. Schrenk, F. E. Griffith

"The increase in tunneling operations that requires working under pressures greater than that of ordinary atmosphere has raised the question of the use and possible limitations of respiratory protective devices under such unusual conditions. As little, if any, information is available, there is need for a comprehensive study of this subject before specific recommendations can be made. In the absence of such data it seems desirable to make a few preliminary observations regarding the problems associated with wearing respiratory protective devices under increased air pressures.Two distinct problems must be considered--the mechanics of the apparatus used under such conditions and the physiological effects of increased pressures on wearers of respiratory apparatus. This report is confined to the use of oxygen breathing-apparatus and gas masks under pressure.ACKNOWLEDGMENTSThe data presented were obtained at the Queens Midtown Tunnel under construction at the east end of 42d Street, New York City, during a study of compressed-air illness conducted by the Bureau of Mines in cooperation with the United States Public Health. Service and the New York City Tunnel Authority.Grateful acknowledgment for cooperation and the use of facilities is made to Dr. R. R. Sayers and his associates, particularly Dr. J. W. Crosson (who acted as observer during the oxygen breathing apparatus tests), of the Division of Industrial Hyiene, National Institute of Health; to the Port of New York Authority, through Dr. Edward Levy; end to the contractors, through Doctor Emery."

Jan 1, 1940

By Irwin Roman

NUMEROUS results and formulas have been published for analyzing seismic records, but most of them apply only to large-scale phenomena such as are encountered in studying earthquakes. In a few cases,1 formulas have been published for some of the simpler structures. In the present paper, an attempt will be made to analyze several types of struc-tures without using methods more advanced than those of a first course in calculus. In, tracing a disturbance through a medium, it is almost always possible to base the analysis on Fermat's Principle of Extreme Time, which states that waves of displacement travel between points in such a manner as to make the time of travel an extremum with respect to all neighboring paths. In the simpler cases, comprising most of those used in optics or geophysical prospecting, this time is a minimum and the principle is often referred to as the Principle of Least Time. Within a homogeneous medium, having a uniform speed of transmission of the disturbance in all directions and throughout the medium, the paths are straight and are refracted at the interfaces in accordance with the Snell law of refraction, which states that the ratio of the sine of the angle, made by the ray with the normal to the interface, to the speed of trans-mission is the same on both sides of the interface. Thus, in any medium composed of homogeneous sections, this same ratio has a constant value at all points. In particular, if all interfaces are horizontal, it is apparent that the angles of incidence are the angles made by the ray with the vertical direction. Furthermore, the incident ray, the refracted ray and the normal to the interface are all in the same plane at each refraction;

Jan 1, 1933

By C. Guney Olgun, Charles Elks, Sherif L. Abdelaziz, James R. Martin, Christopher Fox, Pier Luigi Iovino, Fatih Catalbas, Pierre Gouvin

"Energy piles are a new innovative renewable energy technology to access and exploit the relative constant temperature of the ground for efficient heating and cooling of buildings. Examples of energy piles include drilled shafts, continuous flight auger (CFA) piles, driven piles, and micropiles. A field test setup was installed at the Virginia Tech Geotechnical Research Facility to study energy piles. The field test consists of a total of five micropiles 25 cm (10 inches) in diameter, four of which were equipped with circulation loops. The test piles extend to a depth of 30.5 meters (100 feet) and are heavily instrumented with strain gauges and temperature sensors. Several observation boreholes were formed around the test piles to monitor ground temperatures. Thermal conductivity tests and field load testing were performed to investigate the behavior of Energy Piles. This paper presents results of the thermal conductivity tests and thermo-mechanical field load test performed as part of this field investigation.IntroductionThere is a developing trend around the world to explore alternative energy sources. The main driving forces are growing global energy demand, depleting natural resources and the adverse effects of greenhouse gas emissions from fossil fuel consumption. Geothermal energy is one of the promising renewable sources that can be utilized to offset such trends. However the use of geothermal energy has been limited mainly to certain hot spot areas where it is used either for district heating and/or electricity generation. Ground temperatures below a depth of about 6 meters (20 feet) remain stable compared to outside air temperatures, typically lying between 8-23°C (46-73°F) at most U.S. regions. The constant temperature and heat storage capacity of near surface soils in any region represent a tremendous potential of stored energy that can be used for heating and cooling of structures."

Jan 1, 2017

By Michel Fontaine, Bruno St-Cyr

"The mission of the CENTRE DE RECHERCHE INDUSTRIELLE DU QUEBEC (CRIQ) is to stimulate economic development by guiding businesses in their pursuit of innovation.With a comprehensive approach to their needs, CRIQ provides businesses with expertise based on the most recent developments and insights in the fields of:Research and Development ServicesAutomation and production processesDevelopment of industrial equipmentEnvironmental biotechnologiesTesting and Product Qualification Services Industrial and Technological Information ServicesConsultancy and competitive intelligence servicesIndustrial information bankStandardization ServicesElaboration of standards and product certificationSystems registrationEXPERTISE COMPETENCE, INNOVATIONSince its founding in 1969, CRIQ has been involved in over 100,000 projects. The results of its research and development services have enabled it to build over one hundred pieces of equipment, almost all still in operation today. CRIQ has been and remains the driving force of innovation and expertise on the industrial scene, offering highly competitive solutions to a clientele from numerous industrial sectors.CRIQ became a crown corporation operating on a commercial basis on June 30, 1997. This change in its corporate structure has enabled it to put a marked emphasis on trade and implement an array of new operational practices.The formation of marketing companies with private partners, the opening up to corporate business and international markets, the new directions for internal research and the strengthening of its marketing component are among the activities CRIQ has initiated over the last fiscal year to finally reach its cruising speed."

Jan 1, 2000

By J McQuie

The concentrator at WMCÆs Leinster Nickel Operation has operated with flash flotation in the grinding circuit since the early 1990s. There has always been a positive correlation between flash flotation Ni recovery and overall Ni recovery û however this relationship could be explained by differences in the ore, rather than by the action of the Flash flotation cell in reducing overgrinding of Ni. In July 2003, refurbishment within the plant made it necessary to operate the concentrator for a period with the flash flotation cells off. The resulting data set provided evidence that flash flotation in the grinding circuit changes the size distribution of Ni to reduce the amount of slow-floating fine (-7 ¦m) Ni produced. Ni recoveries in the finer size fractions were similar with flash flotation on or off û but because less fine Ni is produced when the flash flotation cells are operated, overall Ni recovery improved.

Jan 1, 2005

Safety Factor Characteristic Curves. Their Application to Mine Hoisting Ropes. (Paper by W. A. Boyer, Transactions AIME, 199, 989; Mining Engineering, October 1954. Discussion by B. E. Grant.) ............................................................................................................................. 1101 The Use of Wooden Rock Bolts in the Day Mines. (Paper by Rollin Farmin and Carville E. Sparks, Transactions AIME, 196, 922; Mining Engineering, September 1953. Discussion by Edward Thomas.) ................................................................................................................................. 1101 An Analysis of Mine Opening Failure by Means of Models. (Paper by Bernard York and John J. Reed, Transactions AIME, 196, 705; Mining Engineering, July 1953. Discussion by J. P. Zannaras.) ... 1102 B — Minerals Beneficiation Flotation and the Gibbs Adsorption Equation. (Paper by P. L. de Bruyn, J. Th. Overbeek, and R. Schuhmann, Jr., Transactions AIME, 199, 519; Mining Engineering, May 1954. Discussions by W. E. Ewers and Masayoshi Wada.)........................................................................................... 1103 Manganese Upgrading at Three Kids Mine, Nevada. (Paper by S. J. McCarroll, Transactions AIME, 199, 289; Mining Engineering, March 1954. Discussion by J. Bruce Clemmer, J. B. Rosenbaum, and C. H. Schack.)............................................................................................................. 1105 A Physical Explanation of the Empirical Laws of Comminution. (Paper by D. R. Walker and M. C. Shaw, Transactions AIME, 199, 313; Mining Engineering, March 1954. Discussions by Dimitri Kececioglu, George B. Clark, and Fred C. Bond.) ......................................................... 1106 F — Coal Underground Electrocarbonization of Coal and Related Hydrocarbons. (Paper by T. C. Cheasley, J. D. Forrester, and Erich Sarapuu, Transactions AIME, 199, 908; Mining Engineering, September 1954. Discussions by John G. Tripp and James L. Elder.)....................................................... 1108 Longwall Mining and Mechanization, with Special Reference to Nova Scotia. (Paper by Frank Doxey, Transactions AIME, 199, 701; Mining Engineering, July 1954. Discussion by Louis A. Turnbull.) ........................................................................................................................................ 1109 Cleaning Various Coals in a Drum-Type Dense-Medium Pilot Plant. (Paper by M. R. Geer, W. A. Olds, and H. F. Yancey, Transactions AIME, 196, 696; Mining Engineering, July 1953. Discussion by John Griff en.)................................................................................................................................. 1110 Frontiers in Heat Extraction from the Combustion Gases of Coal. (Paper by Elmer R. Kaiser, Transactions AIME, 199, 304; Mining Engineering, March 1954. Discussion by G. A. Vissac.) ............ 1112 Exploration of the Oaxaca Coal Fields in Southern Mexico. (Paper by Luis Toron and Salvador Cortes-Obregon, Transactions AIME, 199, 505; Mining Engineering, May 1954. Discussion by John D. Price.).................................................................................................................. 1113 H — Industrial Minerals Alkali Reactivity of Natural Aggregates in Western United States. (Paper by William Y. Holland and Roger H. Cook, Transactions AIME, 196, 991; Mining Engineering, October 1953. Discussions by Dexter H. Reynolds and W. L. Merritt.) ......................................................... 1114 Characteristics of Titaniferous Concentrates. (Paper by L. E. Lynd, H. Sigurdson, C. H. North, and W. W. Anderson, Transactions AIME, 199, 818; Mining Engineering, August 1954. Discussion by D. R. Grantham.)........................................................................................................................ 1116

Jan 1, 1955

By Michael DiMatteo, Michael D. Gardner, Eric F. Perry, John K. Felbinger, Robert S. Evans

A hydrologically isolated surface coal mine was reclaimed using acid material handling, alkaline addition and ground-water management techniques. Eight pit floor drains were installed during reclamation to intercept ground-water flow in the mine backfill and minimize water table buildup. All drains began flowing within six months of installation. Water quality and ground-water discharge have been monitored for four years after mine closure. A thin water table aquifer about five to seven feet thick has developed in minespoil about 20 to 40 feet thick. Ground-water flow direction is largely controlled by geologic structure and the drains. Median ground- water discharge is about 0.43 gallons per acre per minute, and varies an order of magnitude between wet and dry seasons. About 19 % of precipitation enters the aquifer as recharge. Seven of the eight drains typically discharge net alkaline water. Alkalinity is produced continuously and concentrations are highest during dry periods. Conversely, sulfate and acidity concentrations increase during wet periods as slugs of accumulated acid products are leached. Overall water quality is controlled principally by minespoil geochemistry and added alkaline material. The drains have successfully directed ground-water to a planned discharge area. Without the drains, a ground-water mound was expected to form against a buried highwall and discharge over a large area.

Jan 1, 2000

By R. J. Burgess

During World War II the shortage of ore revived interest in eastern iron deposits, among which -!2..c "Ile Massachusetts and Connecticut limonites. The Cheever mine, in the Richmond-Salisbury area of Massachusetts, was formerly a large producer of limonite ere. The Bureau of Mines investigated the lateral and downward extensions of the Cheever ore body, which was mined from about 1850 to 1892, by ap open cut 1,000 feet long and also by underground workings. even holes aggregating 1,723 feet, were drilled by the Bureau during the winter of 1943-44. They comprised three diamond-core drill holes, two churn-drill holes, and two rotary-drill holes. A geophysical survey of the Cheever mine area and adjoining ground was made in conjunction with the drilling program. Although this survey did not locate the limonite ore beds, the data were of considerable assistance in locating the limestone contact which forms the footwall of the ore beds. Drilling disclosed two beds of limonite with a heavy overburden of glacial till.

Jan 1, 1949

By B. Tiryaki, M. Ayhan, O. Z. Hekimoglu

Coal shearers are one of the major sources of dust and fines in underground coal mines. Despite considerable research investigations, no comprehensive in situ investigations coupled with extensive laboratory studies on the effects of drum design on generation of dust and fines have been found. It may be for this reason that many major shearer drum manufacturers persistently employ a certain drum-lacing pattern on current coal shearers, which is believed to cause excessive dust and fines in coal mines. This paper shows how respirable dust and fines are minimized under near-identical conditions when the drum lacing pattern was changed from a triple-tracking to a single tracking arrangement. A series of laboratory trials simulating in full scale the practical cutting action of tools was followed by extensive long-term underground trials during production operations in OAL (Cayirhan) Lignite mine in Turkey. The results are presented and discussed, and recommendations for proper drum-lacing in terms of respirable dust and fines are made.

Jan 1, 2002

The members of the Institute living in the lower Mississippi Valley, I extend a hearty and cordial invitation to their fellow-members to meet with them nest October, in St. Louis. They believe that it will be a meeting of singular interest, inasmuch as the district in question can show in active production almost all of the more useful metals and non-metals. Perhaps too few know that the Southeast Missouri District, about 80 miles south of St,. Louis, and to which a special trip is planned, is the largest lead district in the world. It was that before-the European war, and, now that the production of lead has greatly increased abroad, and has correspondingly increased in the United States, this is one of the most interesting of all lend districts. In 1913, the production of the world was 1,270,000 tons, the last world figures obtainable. In that same year the production of the United States

Jan 5, 1917

Development of aggregate resources for use in structural concrete has been encouraged in Japan to support infrastructure improvement and national land conservation. Natural aggregate is a valuable resource necessary for sound economic development, and its importance is growing. After completion of aggregate mining projects, planting and afforestation are implemented. But sandy soil in excavation sites is not optimum for the growth of vegetation, and many years are needed before forests are restored. Planting techniques should be improved to support efficient reforestation in a shorter period of time. For this purpose, problems hampering growth of vegetation must to be solved through application of physical and physicochemical techniques to ensure that the environment and the ecosystem will be conserved in project sites.

Dec 6, 2010

With the progress of modern mining engineering, one of the features of which is the mining from greater depths and the hoisting of greatly increased loads, it becomes a matter of increasing importance that the engineer should be able to determinewith some degree of precision the character of the strains on the hauling rope. But a wire rope is a complex structure; it is made up of spirally-twisted strands, which in turn are composed of spirally-twisted wires, and it is not particularly easy to say exactly what happens when this "doubly-twisted structure is wound round a drum or over a pulley.. The difficulty has been generally evaded in ordinary practice by the simple device of adopting a large factor of safety for the rope-usually from 8 to 10-a factor which experience has shown is sufficiently large to cover the bending strains set "up when the rope is passed over pulleys of the sizes commonly considered appropriate.When, however, we add the stress due to the bending of the rope to the stress produced by" the direct pull, we find that the actual factor of safety is usually more nearly 4 than 10, and frequently the bending stresses in the rope are so large compared with the simple tensile stresses that their neglect may easily lead to disastrous results when dealing with problems a little out of the common run. Common Empirical Rules.-It is always "recognized that the bending of a wire rope round too small a pulley is likely to do the rope serious injury, but as it is desirable in ordinary winding operations to reduce the inertia of the moving parts to a minimum...

Jan 1, 1907

By C. Musingwini

Traditionally, mineral reserves management at most underground mines in Zimbabwe focus on maintaining large mineral reserves so that the time between development and production is as long as possible. Historical data at Shabanie mine, a Zimbabwean sub-level caving underground mining operation, confirms this practice. However, the high cost of underground development means that the luxury of large buffer mineral reserves cannot be justified. Furthermore significant increases in the costs of production, exacerbated by the current unfavourable economic climate, make the wisdom of extending development workings well ahead of use questionable. Poor ground conditions at Shabanie mine, mean that some development ends have to be re-mined two or three times due to partial or complete closure between the time they are mined and the time they are utilized. In order to reduce the inordinately high support costs associated with closure of development ends a new ?just-in-time? (JIT) approach that provides development ends as and when they are needed, has been adopted. Accordingly a model to determine an appropriate ?just-in-time? rate of development has been created. The JIT development model indicated that the mine could reduce development rates from 330 m/month in 2001, to 160 m/month in 2002 and achieve savings of about 50% on annual support costs, but still assure customers of a long-term product supply. The mine accepted the model in November 2001 and began implementing it in 2002. Results of the implementation will be reviewed in 2003.

Jan 1, 2003

By A. Moss

The Palabora Mining Company has successfully extended the life of its operation by developing a 30 000 tpd block cave underground mine below the now closed open pit. The process of transitioning from surface to underground mining has been technically, operationally and managerially challenging. This has been due to a number of factors, in particular, the development of a block cave in a very competent rock mass. The competence of the rock mass is clearly demonstrated in the open pit that preceded the block cave, one of the steepest deep open pit excavations in the world. With cave breakthrough, however, the pit was ?instantaneously? deepened by 400 m causing a major failure of the north-west wall involving close to 100 Mt of waste material.

Jan 1, 2006

By Wieslaw Blaschke

The transformation of Polish economy, has contributed to the significant ownership changes and the way of management. Most of non-ferrous metals producers are now joint stock companies or stock companies, which shares are owned mostly by Polish shareholders, the State Treasury, banks or trading companies. However, as compared to the international tendencies, the cost of production of base metals in Poland are still relatively high, and the utilization of secondary sources is still very low. In this sense, the paper point out that some positive results of the current pro-ecological mineral policy in Poland have been already clearly visible in the case of non-ferrous metals smelters, where the emission of dusts and gases was significantly reduced. Therefore, if the current increasing tendency of world production of non-ferrous metals continues, Poland’s role as their primary producer will be reduced.

Sep 13, 2001

By Paulo Roberto Pereira

This paper is motivated by the belief that increasing drilling and blasting costs will not necessarily bring about better digging or crushing productivity. As a matter of fact it can be counter productive as the ensuing discussion will show. In the two case studies presented herein when powder factor increased, productivity at a rope shovel and at a primary crusher decreased. Experience has shown that equipment (shovel and primary crusher) productivity increases as the powder factor increases and concurrently operating costs decrease. This is illustrated by Figure 1where the graph shows (assuming drilling costs constant) that for increases in powder factor initially operating costs might fall till a certain point and then they start to go up again. By the same token we need to understand what is the behavior of the operation’s productivity. It seems intuitive productivity goes up for increases in powder factor but when an operation reaches the point of minimum operating cost one could say that productivity reached its maximum. For continuing increases in powder factor can productivity still go up or does it go down? This paper presents two examples where the productivities of a surface coal mine and of a quarry are reduced for increases in powder factor. This indicates that these two operations could be operating to the right of their minimum operating costs and maximum productivity and therefore wasting precious drilling and blasting dollars and resources. Moreover, their productivity is following the red dotted line in Figure 1 and the question becomes can they follow the blue dotted line for increased drilling and blasting costs? The industry owes to itself to determine this minimum operating cost point and what can be done in case that the productivity goes down afterwards despite an increase in drilling and blasting costs. In other words, utilize your drilling and blasting resources correctly. In the two examples that follow single explosive loading strategies make powder factor a valid means of comparing the results of productivity as a function of powder factor. Also, external factors such as equipment operator influence are eliminated due to the long time span considered in the analysis

Jan 1, 2005

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