(dft)
1Density Functional Theory. A Practical Introduction , Steckel Janice A
Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and… 9049.6 руб электронная книга2Introduction to Computational Chemistry , Frank Jensen
Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to… 6857.18 руб электронная книга3Spin States in Biochemistry and Inorganic Chemistry. Influence on Structure and Reactivity , Marcel Swart
It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic… 12659.41 руб электронная книга4Computational Inorganic and Bioinorganic Chemistry , Robert Scott A.
Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This… 19381.8 руб электронная книга5Vibrational Spectra of Organometallics. Theoretical and Experimental Data , Edward Jr. Maslowsky
A comprehensive compilation of the available experimental and theoretical vibrational data for organometallic compounds and its role in evaluating the structures, bonding, and properties of these key… 14308.69 руб электронная книга6Книга: руководство _ инструкция по ремонту и эксплуатации карбюраторов
Руководство содержит описание следующих карбюраторов:Ford Motorcraft 1V, VV;Pierburg 1B1, 1B3, 2B5, 2B6, 2B7, 2BE, 2E2 и 2E3;Pierburg 40;Solex 41… 1131 руб7Неподеленные электронные пары и химическая связь в молекулярных и ионных кристаллах , Габуда С.П. (2009)
Монография посвящена химическим взаимодействиям, связанным с влиянием неподеленных электронных пар атомов… 1335 руб8Неподеленные электронные пары и химическая связь в молекулярных и ионных кристаллах , Габуда С.П. (2009)
Монография посвящена химическим взаимодействиям, связанным с влиянием неподеленных электронных пар атомов… 1727 грн (только Украина)9Advanced Calculations for Defects in Materials. Electronic Structure Methods , Audrius Alkauskas
This book investigates the possible ways of improvement by applying more sophisticated electronic structure methods as well as corrections and alternatives to the supercell model. In particular, the… 13976.64 руб электронная книга10Molecular Water Oxidation Catalysis. A Key Topic for New Sustainable Energy Conversion Schemes , Antoni Llobet
Photocatalytic water splitting is a promising strategy for capturing energy from the sun by coupling light harvesting and the oxidation of water, in order to create clean hydrogen fuel. Thus a deep… 11968.57 руб электронная книга
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