A comparison between the NEMO intermolecular water potential and ab initio quantum chemical calculations for the water trimer tetramer

By Engkvist Ola   Forsberg Niclas   Schutz Martin   Karlstrom Gunnar  

Molecular Physics, Vol. 90, Iss. 2, 1997-02 ,pp. : 277-287

Taylor & Francis Ltd

Access to resources Recommend Favorite

Electronic structure of silicon nitride according to ab initio quantum-chemical calculations and experimental data

By Nekrashevich S.   Gritsenko V.   Klauser R.   Gwo S.  

Journal of Experimental and Theoretical Physics, Vol. 111, Iss. 4, 2010-10 ,pp. : 659-666

MAIK Nauka/Interperiodica

Access to resources Recommend Favorite

Electronic structure of an oxygen vacancy in Al₂O₃ from the results of Ab Initio quantum-chemical calculations and photoluminescence experiments

By Pustovarov V.   Aliev V.   Perevalov T.   Gritsenko V.   Eliseev A.  

Journal of Experimental and Theoretical Physics, Vol. 111, Iss. 6, 2010-01 ,pp. : 989-995

MAIK Nauka/Interperiodica

Access to resources Recommend Favorite

Vibrational force fields and spectra of fluorinates stilbenes and their ions from ab initio and semi-empirical quantum-chemical calculations

By Negri F.  

Vibrational Spectroscopy, Vol. 24, Iss. 1, 2000-09 ,pp. : 125-136

Elsevier

Access to resources Recommend Favorite

Formation and dissociation of protonated cytosine—cytosine base pairs in i-motifs by ab initio quantum chemical calculations

By Xiao-Hu Zhang   Ming Li   Yan-Ting Wang   Zhong-Can Ouyang  

Chinese Physics B, Vol. 23, Iss. 2, 2014-02 ,pp. : 20702-20705

IOP Publishing

Access to resources Recommend Favorite