First Principles Calculations of Organometallic Compounds

Margl, P. / Schwarz, K. / Blöchl, P. E. | Springer Verlag | 1993

First-principles calculations of phase transition, elasticity, phonon spectra, and thermodynamic properties for hafnium

Zhang, Cheng-Bin / Li, Wei-Dong / Zhang, Ping et al. | British Library Online Contents | 2019

First-principles calculations of optical absorption spectra of atoms in the vacuum and crystals

Ohno, K. / Furuya, M. / Ishii, S. et al. | British Library Online Contents | 2006

Nuclear Magnetic Resonance basic principles

Granger, P. | British Library Conference Proceedings | 1994

First-principles calculations of electronic structures and absorption spectra of YAlO3 crystals with F center

Chen, J. / Zhao, G. / Cao, D. et al. | British Library Online Contents | 2009