Ab initio and diffusion Monte Carlo study of uracil-water, thymine-water, cytosine-water, and cytosine-(water)(2)

Optimized geometries, potential well depths, and harmonic zero-point energies of the uracil-water, thymine-water, cytosine-water, and cytosine- (water)2 weakly-bound molecules are computed using second-order Moller- Plesset perturbation theory and an interaction-optimized, singly-polarized double ze...

وصف كامل

التفاصيل البيبلوغرافية
المؤلفون الرئيسيون: van Mourik, T, Benoit, D, Price, S, Clary, D
التنسيق: Journal article
اللغة:English
منشور في: 2000