TY - CONF T1 - Chemical shielding of closed-shell molecules using extended coupled-cluster theory T2 - International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives Y1 - 2010 A1 - Ravichandran, Lalitha A1 - Joshi, Sayali A1 - Vaval, Nayana ED - Chaudhuri, R. K. ED - Mekkaden, M. V. ED - Raveendran, A. V. ED - Narayanan, A. S. AB -

In this paper we report calculation of the nuclear magnetic shielding constant using extended coupled cluster response approach. We present the results for the HF, BH, CO and N(2) molecules. These results show importance of correlation corrections for the shielding constant.

JF - International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives T3 - Astrophysics and Space Science Proceedings PB - Springer CY - 233 Spring Street, New York, NY 10013, United States SN - 978-3-642-10321-6 N1 - International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives, Indian Inst Astrophys, Kodaikanal Observatory, Bangalore, INDIA, JAN 28-31, 2009 ER -