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25 results in Computational and Theoretical Chemistry Books
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SALE
Quantum Chemistry and Spectroscopic Approach
Amita Dua
Jan. 22nd, 2026
Original Price
$270.00
Sale Price
$229.50
SALE
Machine Learning in 2D Materials Science
Parvathi Chundi, Venkataramana Gadhamshetty, Bharat K. Jasthi, Carol Lushbough
Sep. 28th, 2025
Original Price
$70.99
Sale Price
$60.34
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
RNA-Seq in Drug Discovery and Development
Feng Cheng, Robert Morris
Dec. 19th, 2024
Original Price
$63.99
Sale Price
$54.39
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
Computational Technologies in Materials Science
Shubham Tayal, Parveen Singla, Ashutosh Nandi, J. Paulo Davim
Nov. 29th, 2024
Original Price
$65.99
Sale Price
$56.09
SALE
Materials Science and Fuel Technologies of Uranium and Plutonium Mixed Oxide
Masato Kato, Masahiko Machida
Nov. 29th, 2024
Original Price
$64.99
Sale Price
$55.24
SALE
Quantum Chemistry
: Classical to Computational
Amita Dua, Chayannika Singh
Nov. 7th, 2024
Original Price
$235.00
Sale Price
$199.75
Quantum Theory of Transport Properties of Single Molecules
Yoshihiro Asai, Marius E. Bürkle
Nov. 7th, 2024
$249.95
SALE
Quantum Mechanics
: Detailed Historical, Mathematical and Computational Approaches
Caio Lima Firme
Oct. 4th, 2024
Original Price
$65.99
Sale Price
$56.09
SALE
1st Edition
Quantum Chemistry and Spectroscopic Approach
By Amita Dua
January 22, 2026 by CRC Press
620 Pages 176 B/W Illustrations
Original Price
$270.00
Sale Price
$229.50
SALE
1st Edition
Machine Learning in 2D Materials Science
Edited By Parvathi Chundi, Venkataramana Gadhamshetty, Bharat K. Jasthi, Carol Lushbough
September 28, 2025 by CRC Press
248 Pages 20 Color & 65 B/W Illustrations
Original Price
$70.99
Sale Price
$60.34
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
RNA-Seq in Drug Discovery and Development
Edited By Feng Cheng, Robert Morris
December 19, 2024 by CRC Press
278 Pages 29 Color & 136 B/W Illustrations
Original Price
$63.99
Sale Price
$54.39
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
SALE
1st Edition
Computational Technologies in Materials Science
Edited By Shubham Tayal, Parveen Singla, Ashutosh Nandi, J. Paulo Davim
November 29, 2024 by CRC Press
250 Pages 152 B/W Illustrations
Original Price
$65.99
Sale Price
$56.09
SALE
1st Edition
Materials Science and Fuel Technologies of Uranium and Plutonium Mixed Oxide
Edited By Masato Kato, Masahiko Machida
November 29, 2024 by CRC Press
182 Pages 59 B/W Illustrations
Original Price
$64.99
Sale Price
$55.24
SALE
1st Edition
Quantum Chemistry
Classical to Computational
By Amita Dua, Chayannika Singh
November 07, 2024 by CRC Press
632 Pages
Original Price
$235.00
Sale Price
$199.75
1st Edition
Quantum Theory of Transport Properties of Single Molecules
By Yoshihiro Asai, Marius E. Bürkle
November 07, 2024 by Jenny Stanford Publishing
588 Pages 60 Color & 95 B/W Illustrations
$249.95
SALE
1st Edition
Quantum Mechanics
Detailed Historical, Mathematical and Computational Approaches
By Caio Lima Firme
October 04, 2024 by CRC Press
462 Pages 9 Color & 25 B/W Illustrations
Original Price
$65.99
Sale Price
$56.09
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