Skip to main content
Free standard shipping on all orders
Search
To hear autocomplete suggestions tab past the search button after typing keywords.
Shop By Subject
New & Bestselling
Featured Books
Request an Inspection Copy
Publish With Us
Sale & Offers
133 results in Computational and Theoretical Chemistry Books
Skip results filters and go to sorting options
Skip results filters and go to results list
FILTERS
Keywords
Product Keywords
Search Products
Search Authors
Pub Date
(UTC Date/Time)
Forthcoming Titles
Published Titles
All titles
Last 90 days
Last 180 days
Last 1 year
Published since:
Use the next field to enter a date using m m / d d / y y y y format
SPECIAL OFFERS
Sale Items
Open Access
Open Access Titles Only
Brand
Imprints
All Brands
Apple Academic Press
Chapman & Hall
CRC Press
Eye On Education
Productivity Press
Prufrock Press
Speechmark
Stenhouse
Product Type
Textbook
Reference
Research
Professional Practice
Subjects
Chemistry
Computational and Theoretical Chemistry
Clear Subjects
Showing:
Published Titles
Computational and Theoretic...
Clear All
Publication Date
Relevance
Title (A-Z)
Title (Z-A)
12
24
48
per page
List of Results
SALE
Computational Studies
: From Molecules to Materials
Ambrish Kumar Srivastava
May. 21st, 2026
Original Price
$77.99
Sale Price
$66.29
SALE
Bioinformatics, Computational Chemistry, and AI in Drug Innovation
: Advances and Applications
Sushil Kumar Kashaw, Anshuman Dixit, Shivangi Agarwal, Priyanshu Nema
Feb. 27th, 2026
Original Price
$150.00
Sale Price
$127.50
SALE
Large Language Models for Chemists
: Applications and Insights
Zhiling Zheng
Feb. 17th, 2026
Original Price
$265.00
Sale Price
$225.25
2D and 3D Nanostructures
: Structures, Properties, and Applications
Jean-Claude Serge Levy
Feb. 4th, 2026
$199.95
SALE
Quantum Information Processing with Light
Debabrata Goswami, Sonaly Goswami
Jan. 15th, 2026
Original Price
$260.00
Sale Price
$221.00
SALE
Quantum Chemical and Molecular Dynamics Simulations for Beginners
Dhirendra Kumar Mishra, Nabendu Paul, Nipu Kumar Das, Nikhil Kumar, Tamal Banerjee
Dec. 23rd, 2025
Original Price
$126.99
Sale Price
$107.94
SALE
Molecular Dynamics for Materials Modeling
: A Practical Approach Using LAMMPS Platform
Snehanshu Pal, K. Vijay Reddy
Nov. 27th, 2025
Original Price
$70.99
Sale Price
$60.34
SALE
Diagnostic Advances in Precision Medicine and Drug Development
Emmanuel Kwaku Ofori, Seth Kwabena Amponsah, Yashwant V. Pathak
Jun. 17th, 2025
Original Price
$265.00
Sale Price
$225.25
SALE
Molecular Networking
: Statistical Mechanics in the Age of AI and Machine Learning
Caroline Desgranges, Jerome Delhommelle
May. 5th, 2025
Original Price
$68.99
Sale Price
$58.64
SALE
Computational Quantum Chemistry
Ram Yatan Prasad, Pranita
Mar. 12th, 2025
Original Price
$65.99
Sale Price
$56.09
SALE
Calculating Theoretical Yield Is Not Impossible!
: A Primer for an Organic Chemistry Lab Course
Michael S. Leonard
Feb. 25th, 2025
Original Price
$70.99
Sale Price
$60.34
SALE
Metal–Organic Framework Derived Materials
: Design Strategies and Applications
Gomathi Nageswaran, Varsha M V, Arun Kumar Rajasekaran, M Shashank Rao
Dec. 13th, 2024
Original Price
$160.00
Sale Price
$136.00
SALE
1st Edition
Computational Studies
From Molecules to Materials
Edited By Ambrish Kumar Srivastava
May 21, 2026 by CRC Press
292 Pages 119 B/W Illustrations
Original Price
$77.99
Sale Price
$66.29
SALE
1st Edition
Bioinformatics, Computational Chemistry, and AI in Drug Innovation
Advances and Applications
Edited By Sushil Kumar Kashaw, Anshuman Dixit, Shivangi Agarwal, Priyanshu Nema
February 27, 2026 by CRC Press
258 Pages 38 Color & 15 B/W Illustrations
Original Price
$150.00
Sale Price
$127.50
SALE
1st Edition
Large Language Models for Chemists
Applications and Insights
By Zhiling Zheng
February 17, 2026 by CRC Press
142 Pages 22 Color & 5 B/W Illustrations
Original Price
$265.00
Sale Price
$225.25
1st Edition
2D and 3D Nanostructures
Structures, Properties, and Applications
By Jean-Claude Serge Levy
February 04, 2026 by Jenny Stanford Publishing
346 Pages 51 Color & 39 B/W Illustrations
$199.95
SALE
1st Edition
Quantum Information Processing with Light
By Debabrata Goswami, Sonaly Goswami
January 15, 2026 by CRC Press
432 Pages 150 B/W Illustrations
Original Price
$260.00
Sale Price
$221.00
SALE
1st Edition
Quantum Chemical and Molecular Dynamics Simulations for Beginners
By Dhirendra Kumar Mishra, Nabendu Paul, Nipu Kumar Das, Nikhil Kumar, Tamal Banerjee
December 23, 2025 by CRC Press
248 Pages 193 Color Illustrations
Original Price
$126.99
Sale Price
$107.94
SALE
1st Edition
Molecular Dynamics for Materials Modeling
A Practical Approach Using LAMMPS Platform
By Snehanshu Pal, K. Vijay Reddy
November 27, 2025 by CRC Press
168 Pages 105 B/W Illustrations
Original Price
$70.99
Sale Price
$60.34
SALE
1st Edition
Diagnostic Advances in Precision Medicine and Drug Development
Edited By Emmanuel Kwaku Ofori, Seth Kwabena Amponsah, Yashwant V. Pathak
June 17, 2025 by CRC Press
304 Pages 3 Color & 28 B/W Illustrations
Original Price
$265.00
Sale Price
$225.25
SALE
1st Edition
Molecular Networking
Statistical Mechanics in the Age of AI and Machine Learning
By Caroline Desgranges, Jerome Delhommelle
May 05, 2025 by CRC Press
248 Pages 66 Color & 33 B/W Illustrations
Original Price
$68.99
Sale Price
$58.64
SALE
2nd Edition
Computational Quantum Chemistry
By Ram Yatan Prasad, Pranita
March 12, 2025 by CRC Press
713 Pages 102 B/W Illustrations
Original Price
$65.99
Sale Price
$56.09
SALE
1st Edition
Calculating Theoretical Yield Is Not Impossible!
A Primer for an Organic Chemistry Lab Course
By Michael S. Leonard
February 25, 2025 by CRC Press
104 Pages 70 B/W Illustrations
Original Price
$70.99
Sale Price
$60.34
SALE
1st Edition
Metal–Organic Framework Derived Materials
Design Strategies and Applications
By Gomathi Nageswaran, Varsha M V, Arun Kumar Rajasekaran, M Shashank Rao
December 13, 2024 by CRC Press
224 Pages 49 B/W Illustrations
Original Price
$160.00
Sale Price
$136.00
1
2
3
>
»
1-12 of 133
The country you have selected will result in the following:
Product pricing will be adjusted to match the corresponding currency.
The title
Perception
will be removed from your cart because it is not available in this region.