Skip to content

Booksellers & Trade Customers: Sign up for online bulk buying at trade.atlanticbooks.com for wholesale discounts

Booksellers: Create Account on our B2B Portal for wholesale discounts

Geometrical Derivatives of Energy Surfaces and Molecular Properties

by Poul Jørgensen
Save 35% Save 35%
Current price ₹11,017.00
Original price ₹16,949.00
Original price ₹16,949.00
Original price ₹16,949.00
(-35%)
₹11,017.00
Current price ₹11,017.00

Imported Edition - Ships in 12-14 Days

Free Shipping in India on orders above Rs. 500

Request Bulk Quantity Quote
+91
Book cover type: Hardcover
  • ISBN13: 9789027721761
  • Binding: Hardcover
  • Subject: N/A
  • Publisher: Springer
  • Publisher Imprint: Springer
  • Publication Date:
  • Pages: 342
  • Original Price: EUR 149.99
  • Language: English
  • Edition: 1986
  • Item Weight: 699 grams
  • BISAC Subject(s): General and Chemistry / Physical & Theoretical

The development and computational implementation of analytical expres- sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid growth in recent years. It is now fairly routine for chemists to make use of energy gradient information in locating and identifying stable geometries and transition states. The use of second analytical derivative (Hessian or curvature) expressions is not yet routine, and third and higher energy derivatives as well as property (e.g., dipole moment, polarizability) derivatives are just beginning to be applied to chemical problems. This NATO Advanced Research Workshop focused on analyzing the re- lative merits of various strategies for deriving the requisite analyti- cal expressions, for computing necessary integral derivatives and wave- function parameter derivatives, and for efficiently coding these expres- sions on conventional scalar machines and vector-oriented computers. The participant list contained many scientists who have been instrumen- tal in bringing this field to fruition as well as eminent scientists who have broad knowledge and experience in quantum chemistry in general.

Trusted for over 49 years

Family Owned Company

Secure Payment

All Major Credit Cards/Debit Cards/UPI & More Accepted

New & Authentic Products

India's Largest Distributor

Need Support?

Whatsapp Us