Skip to main content
SpringerLink
Log in
Book cover

Advances in Quantum Systems in Chemistry, Physics, and Biology

Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018)

  • Conference proceedings
  • © 2020

Overview

Editors:
  1. Liliana Mammino

    1. School of Mathematical and Natural Sciences, University of Venda, Thohoyandou, South Africa

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

  2. Davide Ceresoli

    1. Istituto di Scienze e Tecnologie Moleculari, Consiglio Nazionale delle Ricerche, Milan, Italy

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

  3. Jean Maruani

    1. Laboratoire de Chimie Physique, CNRS & UPMC, Paris, France

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

  4. Erkki Brändas

    1. Department of Chemistry, Uppsala University, Uppsala, Sweden

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

  • Includes state-of-the-art contributions on quantum chemistry from leaders in the field
  • Offers an interdisciplinary blend of content with a broad appeal
  • Will benefit experimentalists and theoreticians alike

Part of the book series: Progress in Theoretical Chemistry and Physics (PTCP, volume 32)

Included in the following conference series:

Conference proceedings info: QSCP 2018.

This is a preview of subscription content, log in via an institution to check access.

Access this book

Log in via an institution
eBook USD 129.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access

Licence this eBook for your library

Institutional subscriptions

Table of contents (16 papers)

  1. Front Matter

    Pages i-xvi
    Download chapter PDF

  2. Exotic Atomic Systems

    1. Front Matter

      Pages 1-1
      Download chapter PDF

    2. Advanced Relativistic Energy Approach in Spectroscopy of Autoionization States of Multielectron Atomic Systems

      • Alexander V. Glushkov
      Pages 3-31

    3. Relativistic Quantum Chemistry and Spectroscopy of Kaonic Atomic Systems with Accounting for Radiative and Strong Interaction Effects

      • Olga Yu. Khetselius, Andrey A. Svinarenko, Valentin B. Ternovsky, Yuliya V. Dubrovskaya, Inga N. Serga
      Pages 33-50

    4. Spectroscopy of Rydberg Atomic Systems in a Black-Body Radiation Field

      • Alexander V. Glushkov, Valentin B. Ternovsky, Anna A. Kuznetsova, Andrey V. Tsudik
      Pages 51-63

    5. Hyperfine and Electroweak Interactions in Heavy Finite Fermi Systems and Parity Non-conservation Effect

      • Olga Yu. Khetselius, Alexander V. Glushkov, Eugeny V. Ternovsky, Vasily V. Buyadzhi, Oleksii L. Mykhailov
      Pages 65-81

  3. Clusters and Molecules Interactions

    1. Front Matter

      Pages 83-83
      Download chapter PDF

    2. Quantum Study of Helium Clusters Doped with Electronically Excited Li, Na, K and Rb Atoms

      • David Dell’Angelo
      Pages 85-102

    3. A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)

      • Patricia R. P. Barreto, Ana Claudia P. S. Cruz, Henrique O. Euclides, Alessandra F. Albernaz, Federico Palazzetti, Fernando Pirani
      Pages 103-118

    4. A Theoretical Study of the Preferred Reaction Mechanism Between Chloroacetic Acid and Thiourea

      • Mwadham M. Kabanda, Kgalaletso P. Otukile
      Pages 119-142

    5. Density Functional Theory Studies of Ruthenium Dye (N3) Adsorbed on a TiO2 Brookite Cluster for Application in Dye Sensitized Solar Cells

      • I. F. Elegbeleye, N. E. Maluta, R. R. Maphanga
      Pages 143-155

  4. Biochemistry and Biophysics

    1. Front Matter

      Pages 157-157
      Download chapter PDF

    2. Complexes of Furonewguinone B with a Cu2+ Ion. A DFT Study

      • Liliana Mammino
      Pages 159-182

    3. Computational Study of Shuangancistrotectorine A: A Naphthylisoquinoline Alkaloid with Antimalarial Activity

      • Mireille K. Bilonda, Liliana Mammino
      Pages 183-203

    4. Ab Initio and DFT Computational Study of Myristinin A and a Structurally Related Molecule

      • Neani Tshilande, Liliana Mammino
      Pages 205-232

    5. Current Problems in Computer Simulation of Variability of Three-Dimensional Structure of DNA

      • V. Poltev, V. M. Anisimov, V. Dominguez, A. Deriabina, E. Gonzalez, D. Garcia et al.
      Pages 233-253

  5. Fundamental Theory

    1. Front Matter

      Pages 255-255
      Download chapter PDF

    2. Efficient “Middle” Thermostat Scheme for the Quantum/Classical Canonical Ensemble via Molecular Dynamics

      • Xinzijian Liu, Kangyu Yan, Jian Liu
      Pages 257-281

    3. Megascopic Quantum Phenomena

      • Michal Svrček
      Pages 283-392

    4. Abiogenesis and the Second Law of Thermodynamics

      • Erkki J. Brändas
      Pages 393-436
Back to top

Other volumes

  1. Advances in Quantum Systems in Chemistry, Physics, and Biology

Keywords

About this book

This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is primarily intended for scholars, researchers, and graduate students working at universities and scientific institutes who are interested in the structure, properties, dynamics, and spectroscopy of atoms, molecules, biological systems, and condensed matter.


Editors and Affiliations

  • School of Mathematical and Natural Sciences, University of Venda, Thohoyandou, South Africa

    Liliana Mammino

  • Istituto di Scienze e Tecnologie Moleculari, Consiglio Nazionale delle Ricerche, Milan, Italy

    Davide Ceresoli

  • Laboratoire de Chimie Physique, CNRS & UPMC, Paris, France

    Jean Maruani

  • Department of Chemistry, Uppsala University, Uppsala, Sweden

    Erkki Brändas

Bibliographic Information

Publish with us

Policies and ethics

Back to top

Search

Navigation