Overview

Hungarian Quantum Chemistry: Part B - Contemporary Research

Full Product Details

Author:   Peter Surján ,  Agnes Szabados (Eötvös Loránd University Budapest, Egyetem, Hungary)
Publisher:   Elsevier Science Publishing Co Inc
Imprint:   Academic Press Inc
Weight:   0.450kg
ISBN:  

9780443430572

ISBN 10:   0443430578
Pages:   334
Publication Date:   20 February 2026
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   Manufactured on demand  
We will order this item for you from a manufactured on demand supplier.

Table of Contents

1. Past, present, and future of joint utilization of experimental, empirical, and computed spectroscopic data: Challenges, advantages, and recommendations Roland Tóbiás, Tibor Furtenbacher, and Attila G. Császár 2. First-principles dynamics and mechanisms of fundamental chemical reactions Gábor Czakó 3. From electron pairs to biomolecules György G. Ferenczy 4. Study of electronic, topologic and geometric properties of carbon and related structures István László 5. Tensor network state methods and quantum information theory for strongly correlated molecular systems Miklós Antal Werner, Andor Menczer, and Örs Legeza 6. Density functional theory: Preliminaries, extensions to excited states, statistical and information concepts Ágnes Nagy 7. QM/MM free energy calculations for enzyme catalytic reactions Edina Rosta 8. Spin-unrestricted geminals as reference states in electron correlation theory Ágnes Szabados, Péter Jeszenszki, Zsuzsanna É. Mihálka, and Péter R. Surján 9. Conceptual Ruedenberg theory: From electronegativity to universal potential energy curve László von Szentpály 10. Contributions to the theoretical modeling and understanding of molecular polaritons Csaba Fábri and Tamás Szidarovszky Epilogue Péter R. Surján and Ágnes Szabados

Reviews

Author Information

Tab Content 6

Author Website:  

Countries Available

All regions