Электронная книга: Mark Gordon S. «Fragmentation: Toward Accurate Calculations on Complex Molecular Systems»
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.
Издательство: "John Wiley&Sons Limited"
ISBN: 9781119129257 электронная книга Купить за 11582.49 руб и скачать на Litres
Купить за 11582.49 руб и скачать на Litres
Look at other dictionaries:
star — starless, adj. /stahr/, n., adj., v., starred, starring. n. 1. any of the heavenly bodies, except the moon, appearing as fixed luminous points in the sky at night. 2. Astron. any of the large, self luminous, heavenly bodies, as the sun, Polaris,… … Universalium
analysis — /euh nal euh sis/, n., pl. analyses / seez /. 1. the separating of any material or abstract entity into its constituent elements (opposed to synthesis). 2. this process as a method of studying the nature of something or of determining its… … Universalium
radiation — radiational, adj. /ray dee ay sheuhn/, n. 1. Physics. a. the process in which energy is emitted as particles or waves. b. the complete process in which energy is emitted by one body, transmitted through an intervening medium or space, and… … Universalium
literature — /lit euhr euh cheuhr, choor , li treuh /, n. 1. writings in which expression and form, in connection with ideas of permanent and universal interest, are characteristic or essential features, as poetry, novels, history, biography, and essays. 2.… … Universalium
Anthropology and Archaeology — ▪ 2009 Introduction Anthropology Among the key developments in 2008 in the field of physical anthropology was the discovery by a large interdisciplinary team of Spanish and American scientists in northern Spain of a partial mandible (lower… … Universalium
environment — environmental, adj. environmentally, adv. /en vuy reuhn meuhnt, vuy euhrn /, n. 1. the aggregate of surrounding things, conditions, or influences; surroundings; milieu. 2. Ecol. the air, water, minerals, organisms, and all other external factors… … Universalium