Indigo stability: an ab initio study

By Solís Correa Hugo   Ortiz Elba   Uc Víctor Hugo   Barceló Quintal Icela D.   Hernández Avila José Luis  

Molecular Simulation, Vol. 37, Iss. 13, 2011-11 ,pp. : 1085-1090

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio DFT study of 6-mercapto-hexane SAMs: effect of Au surface defects on the monolayer assembly

By Hu Hang   Reven Linda   Rey Alejandro D.  

Molecular Simulation, Vol. 39, Iss. 4, 2013-04 ,pp. : 292-298

Taylor & Francis Ltd

Access to resources Recommend Favorite

van der Waals potential barrier for cobaltocene encapsulation into single-walled carbon nanotubes: classical molecular dynamics and ab initio study

By Azevedo David L.   Sato Fernando   Gomes de Sousa Filho Antonio   Galvão Douglas S.  

Molecular Simulation, Vol. 37, Iss. 9, 2011-08 ,pp. : 746-751

Taylor & Francis Ltd

Access to resources Recommend Favorite

Poly –N = N– linked 1,5-dihydro-1,5-diazocine, the two-dimensional polymer with Dirac insulator properties: ab initio study

By Kevorkyants Ruslan  

Molecular Simulation, Vol. 38, Iss. 11, 2012-09 ,pp. : 886-891

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio predictions of structural and elastic properties of struvite: contribution to urinary stone research

By Piechota Jacek   Prywer Jolanta   Torzewska Agnieszka  

Computer Methods in Biomechanics and Biomedical Engineering, Vol. 15, Iss. 12, 2012-12 ,pp. : 1329-1336

Taylor & Francis Ltd

Access to resources Recommend Favorite