Trapping Behavior of He in Ti Revisited by ab initio Calculations

By Chu-Bin Wan   Xiao-Song Zhou   Shi-Na Li   Hui-Jun Zhang   Jian-Hua Liang   Shu-Ming Peng   Xin Ju  

Chinese Physics Letters, Vol. 31, Iss. 1, 2014-01 ,pp. : 17102-17105

IOP Publishing

Access to resources Recommend Favorite

Accurate torsional potentials in conjugated systems: ab initio and density functional calculations on 1,3-butadiene and monohalogenated butadienes

By Karpfen Alfred   Parasuk Vudhichai  

Molecular Physics, Vol. 102, Iss. 8, 2004-04 ,pp. : 819-826

Taylor & Francis Ltd

Access to resources Recommend Favorite

A frequency analysis of the ν₉ band of CD₃CD₃: experiment and ab initio calculations

By Szott A. C.   Cooper J. R.   Thompson R. I.   McKellar A. R. W.   Moazzen-Ahmadi N.  

Molecular Physics, Vol. 101, Iss. 14, 2003-07 ,pp. : 2267-2277

Taylor & Francis Ltd

Access to resources Recommend Favorite

Feshbach resonances of the C₃H⁻ anion: laser autodetachment spectroscopy and ab initio calculations

By Pino T.   Pachkov M.   Tulej M.   Xu R.   Jungen M.   Maier J. P.  

Molecular Physics, Vol. 102, Iss. 18, 2004-09 ,pp. : 1881-1889

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio calculations of BaTiO₃ (111) surfaces

By Eglitis R.I.  

Phase Transitions: A Multinational Journal, Vol. 86, Iss. 11, 2013-11 ,pp. : 1115-1120

Taylor & Francis Ltd

Access to resources Recommend Favorite