Open Daily: 10am - 10pm | Alley door pickup 10am - 7pm 3038 Hennepin Ave Minneapolis, MN
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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Computational Chemistry for Experimentalists: A Nonspecialist's Guide to Practical and Predictive Simulations

Computational Chemistry for Experimentalists: A Nonspecialist's Guide to Practical and Predictive Simulations

Janesko, Benjamin G.

Paperback

ChemistryGeneral Science

ISBN10: 0443342113
ISBN13: 9780443342110
Publisher: Elsevier
Published: Jan 29 2026
Pages: 318
Weight: 1.55
Height: 0.64 Width: 7.49 Depth: 9.22
Language: English
Computational Chemistry for Experimentalists: A Nonspecialist's Guide to Practical and Predictive Simulations empowers chemists--especially those at emerging institutions or in small and medium enterprises--by transforming foundational chemical concepts into practical computational skills. A modular approach, paired with hands-on video tutorials, ensures that even nonspecialists can confidently apply simulations to their research, regardless of career stage or specialization. Beyond its accessible structure, the book features six modules covering core topics such as electronic structure theory and molecular dynamics. Ten experimental modules focus on simulating specific laboratory techniques--reaction mechanisms, NMR, UV/vis, band structures, XPS, and organometallic chemistry.

Regularly updated online tutorials complement the material, providing project-based, real-world training. By bridging theory and practice, this guide serves mid-career professionals, undergraduate and graduate students, and early-career researchers, making computational chemistry approachable and practical for all experimental chemists.

Ben's free online course complimenting this book is available on GitHub:

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