Practical aspects of computational chemistry IV. ([2016])

• Record Type: Book
• Other Titles: Practical aspects of computational chemistry 4
• Further Information: Note: Jerzy Leszczynski, Manoj K. Shukla, editors.
• Editors: Leszczynski, Jerzy, 1949-; Shukla, Manoj
• Contents: Relativistic Effects and Quantum Electrodynamics in Chemistry -- How Can One Locate the Global Energy Minimum for Hydrogen-bonded Clusters? -- Optical Parameters of p-Conjugated Oligomer Chains from the Semiempirical Local Coupled-Cluster Theory -- A Critical Look at Methods for Calculating Charge Transfer Couplings Fast and Accurately -- Methods for Computing ro-Vibrational Energy Levels -- Effectively Unpaired Electrons for Singlet States: from Diatomics to Graphene Nanoclusters.-Assembly of Carbon-based Nanodevices -- Computational Mechanochemistry -- Hydrogen Bond and Other Lewis Acid -- Lewis Base Interactions -- Mechanisms of Formation -- Iodine Contained Drugs: Complexes of Molecular Iodine and Tri-iodide with Bioorganic Ligands and Lithium Halogenides in Aqueous Solutions -- Detailed Atomistic Modeling of Si(110) Passivation by Atomic Layer Deposition of Al2O3 -- Development of the Latest Tools for Building up "Nano-QSAR": Quantitative Features -- Property / Activity Relationships (QFPRs/QFARs).
• Publisher Details: New York : Springer
• Publication Date: 2016
• Copyright Date: 2016
• Extent: 1 online resource (viii, 398 pages)
• Subjects: 541.0285; 542.85; Chemistry; Chemistry, Physical and theoretical -- Data processing; SCIENCE -- Chemistry -- Clinical; Chimie; Science des matériaux; Chemistry, Physical and theoretical -- Data processing; Computational chemistry; Chemistry; Theoretical and Computational Chemistry; Surfaces and Interfaces, Thin Films; Physical Chemistry; Technology & Engineering -- Material Science; Science -- Chemistry -- Physical & Theoretical; Materials science; Physical chemistry; Surfaces (Physics); Chemistry, Physical organic; Quantum & theoretical chemistry; Electronic books
• Languages: English
• ISBNs: 9781489976994
• Related ISBNs: 1489976973; 9781489976970; 148997699X
• Notes: Note: Includes bibliographical references and index.; Note: Print version record.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.