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Computational Chemistry

Introduction to the Theory and Applications of Molecular and Quantum Mechanics

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Focusing on the advancements in computational chemistry, this updated textbook incorporates recent developments in theory and practice, including a significant emphasis on density functional theory (DFT) and the role of artificial intelligence. It retains essential features from prior editions, offering an introductory exploration of mathematical concepts related to ab initio and DFT methods. Each chapter includes varying difficulty drill questions with answers, making it suitable for upper-year undergraduates, graduate students, and researchers in academia and industry.

Nákup knihy

Computational Chemistry, Errol G. Lewars

Jazyk
Rok vydania
2024
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Titul
Computational Chemistry
Podtitul
Introduction to the Theory and Applications of Molecular and Quantum Mechanics
Jazyk
anglicky
Rok vydania
2024
Väzba
pevná
Počet strán
768
ISBN13
9783031514425
Série
Hodnotenie
3 z 5
Anotácia
Focusing on the advancements in computational chemistry, this updated textbook incorporates recent developments in theory and practice, including a significant emphasis on density functional theory (DFT) and the role of artificial intelligence. It retains essential features from prior editions, offering an introductory exploration of mathematical concepts related to ab initio and DFT methods. Each chapter includes varying difficulty drill questions with answers, making it suitable for upper-year undergraduates, graduate students, and researchers in academia and industry.