{"product_id":"theoretical-methods-algorithms-and-applications-of-quantum-systems-in-chemistry-ebook","title":"Theoretical Methods, Algorithms, and Applications of Quantum Systems in Chemistry, Physics, and Biology","description":"\u003cp\u003ePart 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.\u003c\/p\u003e","brand":"Sourav Pal","offers":[{"title":"Default Title","offer_id":53651030311239,"sku":"9783031851674","price":223.63,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0920\/5455\/2903\/files\/theoretical-methods-algorithms-and-applications-of-ebook-cover.webp?v=1775325156","url":"https:\/\/www.cinebuch.de\/products\/theoretical-methods-algorithms-and-applications-of-quantum-systems-in-chemistry-ebook","provider":"CineBuch","version":"1.0","type":"link"}