Quantum chemistry methods determine microscopic molecular properties: vibrational frequencies, IR intensities, molecular moments, polarizabilities, and spectroscopic properties. Methods include: density functional, Hartree-Fock ab intitio, first principles, and semi-empirical. Programs include: DMol, Turbomole, TurboNMR, and ZINDO.
Brenda Pfeiffer
Marketing Specialist BIOSYM Technologies, Inc. 9685 Scranton Road San Diego, CA 92121-3752 USA 619-546-5319 fax:619-597-9777 blp@biosym.com