Theoretical Methods, Algorithms, and Applications of Quantum Systems in Chemistry, Physics, and Biology Selected Proceedings of QSCP-XXVI Conference (Jaipur, India, October 2023) /
This volume contains peer-reviewed contributions based on talks presented at the 26th International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Jaipur, India, in October 2023. It provides an in-depth discussion of methodological approaches that are relevant across various...
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| Formato: | Recurso Electrónico livro electrónico |
| Idioma: | inglês |
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Springer Nature Switzerland : Imprint: Springer,
2025.
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| Edição: | 1st ed. 2025. |
| Colecção: | Progress in Theoretical Chemistry and Physics,
35 |
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| Acesso em linha: | https://doi.org/10.1007/978-3-031-85167-4 |
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| 245 | 1 | 0 | |a Theoretical Methods, Algorithms, and Applications of Quantum Systems in Chemistry, Physics, and Biology |h [electronic resource] : |b Selected Proceedings of QSCP-XXVI Conference (Jaipur, India, October 2023) / |c edited by Sourav Pal, Vipin Srivastava, Vidya Avasare, Jean Maruani. |
| 250 | |a 1st ed. 2025. | ||
| 264 | 1 | |a Cham : |b Springer Nature Switzerland : |b Imprint: Springer, |c 2025. | |
| 300 | |a 1 online resource (XII, 341 p. 117 illus.). |b 106 illus. in color. | ||
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| 490 | 1 | |a Progress in Theoretical Chemistry and Physics, |x 2215-0129 ; |v 35 | |
| 505 | 0 | |a Part I. General Theory and Methodology -- Open Systems and the Laws of Thermodynamics -- Numerical Tensor Methods with Explicitly Correlated Wave Functions for Bound-State Stability of Coulomb Three-Body Systems -- P,T-Odd Sensitivity Parameters in Open-Shell Molecules from Relativistic Coupled-Cluster Theory -- Hypotheses on Many-Body Quantum Effects in Photosynthesis -- Revisiting Noble-Gas Adsorption on Graphene Using Continuum and Atomistic Descriptions -- From Quantum Connectivity to Biological Networks: A Portrait of Protein Structure seen through the Lens of Side Chain Network -- Part II. Computational Quantum Chemistry -- Insight into the Structural, Electronic, and Magnetic Properties of Mn, Fe, and Co-doped bilayerborophene -- Deciphering the Mechanisms and Reactivity of Metalloenzymes and Biomimetic Models Using Computational Methods -- Dispersion effects on the computed geometries and properties of hydroxybenzenes dimmers -- Towards ML- and QML-Accelerated Discovery of Catalytic Materials and Mechanisms: A Progress Review -- Part III. Reaction Mechanisms -- Exploring the Competition between Energy Transfer and Reaction Rate in Post-TS Dynamics of Catechol's Ozonolysis -- Radical Pair Mechanism in Biological Systems -- Part IV. Biological Applications -- The Changing Face of Drug and Materials Discovery -- Understanding the Melanin Spectra and Photophysics -- Computational analysis of mutation effect on SARS-CoV-2 spike protein structures. | |
| 520 | |a This volume contains peer-reviewed contributions based on talks presented at the 26th International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Jaipur, India, in October 2023. It provides an in-depth discussion of methodological approaches that are relevant across various length scales, elucidating their applications in diverse chemical and biological systems, such as catalysis and materials. Authored by experts in their respective fields, each chapter showcases recent developments and offers insights into the latest research trends. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, and biology, and their applications. | ||
| 532 | 8 | |a Accessibility summary: This PDF has been created in accordance with the PDF/UA-1 standard to enhance accessibility, including screen reader support, described non-text content (images, graphs), bookmarks for easy navigation, keyboard-friendly links and forms and searchable, selectable text. We recognize the importance of accessibility, and we welcome queries about accessibility for any of our products. If you have a question or an access need, please get in touch with us at accessibilitysupport@springernature.com. Please note that a more accessible version of this eBook is available as ePub. | |
| 532 | 8 | |a No reading system accessibility options actively disabled | |
| 532 | 8 | |a Publisher contact for further accessibility information: accessibilitysupport@springernature.com | |
| 588 | |a Print version record. | ||
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 0 | |a Chemistry |x Data processing. | |
| 650 | 0 | |a Quantum chemistry. | |
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| 650 | 0 | |a Molecules. | |
| 650 | 1 | 4 | |a Theoretical Chemistry. |
| 650 | 2 | 4 | |a Computational Chemistry. |
| 650 | 2 | 4 | |a Quantum Chemistry. |
| 650 | 2 | 4 | |a Atomic, Molecular and Chemical Physics. |
| 700 | 1 | |a Pal, Sourav. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Srivastava, Vipin. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Avasare, Vidya. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Maruani, Jean. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
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