Advances molecular modeling chemistry (26 resultados)

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Hardback or Cased Book. Condición: New. Advances in Molecular Modeling in Chemistry. Book.

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Condición: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

Condición: New. In English.

Condición: New. In English.

Condición: New. pp. 250.

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HRD. Condición: New. New Book. Delivered from our UK warehouse in 4 to 14 business days. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000.

HRD. Condición: New. New Book. Shipped from UK. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000.

HRD. Condición: New. New Book. Delivered from our UK warehouse in 4 to 14 business days. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000.

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Hardcover. Condición: new. Hardcover. Molecular modeling has revolutionized the ways in which we understand, predict, and manipulate chemical systems, from simple molecules to complex biological macromaterials and functional nanomaterials. By bridging theory and experiment, computational approaches provide unprecedented insights into atomic-scale interactions, reaction mechanisms, and material properties, accelerating discovery across chemistry, biochemistry, and materials science.This Reprint of the Special Issue entitled "Advances in Molecular Modeling in Chemistry" aims to showcase cutting-edge developments in computational chemistry and molecular simulation. The Special Issue highlights innovative methodologies, algorithms, and applications in areas such as quantum chemical calculations, molecular dynamics and Monte Carlo simulations, machine learning and artificial intelligence in chemical modeling, etc. The studies published within this Reprint explore areas such as molecular dynamics simulations of oil adsorption behavior, the antifoaming mechanisms of surfactants, density functional theory calculations of catalytic mechanisms, drug discovery, and the evaluation of combustion mechanisms using reactive molecule force fields, among other topics.By bringing together diverse expertise, this Special Issue seeks to foster interdisciplinary dialog and inspire the next generation of computational strategies. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability.…

Buch. Condición: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Molecular modeling has revolutionized the ways in which we understand, predict, and manipulate chemical systems, from simple molecules to complex biological macromaterials and functional nanomaterials. By bridging theory and experiment, computational approaches provide unprecedented insights into atomic-scale interactions, reaction mechanisms, and material properties, accelerating discovery across chemistry, biochemistry, and materials science.This Reprint of the Special Issue entitled 'Advances in Molecular Modeling in Chemistry' aims to showcase cutting-edge developments in computational chemistry and molecular simulation. The Special Issue highlights innovative methodologies, algorithms, and applications in areas such as quantum chemical calculations, molecular dynamics and Monte Carlo simulations, machine learning and artificial intelligence in chemical modeling, etc. The studies published within this Reprint explore areas such as molecular dynamics simulations of oil adsorption behavior, the antifoaming mechanisms of surfactants, density functional theory calculations of catalytic mechanisms, drug discovery, and the evaluation of combustion mechanisms using reactive molecule force fields, among other topics.By bringing together diverse expertise, this Special Issue seeks to foster interdisciplinary dialog and inspire the next generation of computational strategies.…

Buch. Condición: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Molecular modeling is playing a crucial role in chemistry investigations. With the current developments in computing power, it is possible to achieve large-scale simulations. Molecular modeling has been applied successfully in many areas of chemistry, e.g., the behavior of liquid solutions, proteins, DNA, polysaccharides, lipid membranes, crystals, amorphous solids, or any combination of them; the process of adsorption or desorption at interfaces; protein folding; self-assembly; etc.Aside from the widely spread application of molecular modeling, the techniques of simulation also developed rapidly. Many simulation techniques have emerged, including ab initio molecular dynamics, polarizable force field, reactive molecular dynamics, machine learning accelerated simulation, metadynamics, etc.This reprint includes 13 original papers reporting on molecular simulation works, including quantum chemistry calculation, molecular dynamic simulation, etc., or combined experiments and simulation studies. We hope that this collection of research studies can bring inspiration to readers regarding the application of molecular modeling methods.…

Buch. Condición: Neu. Advances in Molecular Modeling in Chemistry | Buch | Englisch | 2024 | MDPI AG | EAN 9783725824786 | Verantwortliche Person für die EU: Libri GmbH, Europaallee 1, 36244 Bad Hersfeld, gpsr[at]libri[dot]de | Anbieter: preigu Print on Demand.

Buch. Condición: Neu. Advances in Molecular Modeling in Chemistry, 2nd Edition | Buch | Englisch | 2026 | MDPI AG | EAN 9783725863983 | Verantwortliche Person für die EU: Libri GmbH, Europaallee 1, 36244 Bad Hersfeld, gpsr[at]libri[dot]de | Anbieter: preigu Print on Demand.

Condición: New. Print on Demand pp. 250.

Condición: New. PRINT ON DEMAND pp. 250.