http://comunicacionquimica.wordpress.com Almost all we are what we can see but others are what we have to research Fri, 01 Apr 2011 15:09:46 +0000 es hourly 1 http://wordpress.com/ http://s2.wp.com/i/buttonw-com.png http://comunicacionquimica.wordpress.com http://comunicacionquimica.wordpress.com/2011/04/01/lectures-in-science-an-introduction-to-the-procedure/ http://comunicacionquimica.wordpress.com/2011/04/01/lectures-in-science-an-introduction-to-the-procedure/#comments Fri, 01 Apr 2011 15:06:13 +0000 martin http://comunicacionquimica.wordpress.com/?p=72 ]]> http://comunicacionquimica.wordpress.com/2011/04/01/lectures-in-science-an-introduction-to-the-procedure/feed/ 0 martin http://comunicacionquimica.wordpress.com/2011/03/14/formulacion-y-comprension-del-lagrangiano-en-la-dinamicas-por-car-parrinello/ http://comunicacionquimica.wordpress.com/2011/03/14/formulacion-y-comprension-del-lagrangiano-en-la-dinamicas-por-car-parrinello/#comments Mon, 14 Mar 2011 15:08:43 +0000 martin http://comunicacionquimica.wordpress.com/?p=63 ]]> http://comunicacionquimica.wordpress.com/2011/03/14/formulacion-y-comprension-del-lagrangiano-en-la-dinamicas-por-car-parrinello/feed/ 0 martin \mathcal{L} = \frac{1}{2}\left(\sum_I^{\mathrm{nuclei}}\ M_I\dot\mathbf R_I^2 + \mu\sum_i^{\mathrm{orbitals}}\int d\mathbf r\ |\dot\psi_i(\mathbf r,t)|^2 \right) - E\left[\{\psi_i\},\{\mathbf R_I\}\right], \int d\mathbf r\ \psi_i^*(\mathbf r,t) \psi_j(\mathbf r,t) = \delta_{ij}, M_I \ddot \mathbf R_I = - \nabla_I \, E\left[\{\psi_i\},\{\mathbf R_J\}\right] \mu \ddot{\psi}_i(\mathbf r,t) = - \frac{\delta E}{\delta \psi_i^*(\mathbf r,t)} + \sum_j \Lambda_{ij} \psi_j(\mathbf r,t), http://comunicacionquimica.wordpress.com/2011/03/13/transferencia-electronica-en-el-complejo-proteico-de-p450/ http://comunicacionquimica.wordpress.com/2011/03/13/transferencia-electronica-en-el-complejo-proteico-de-p450/#comments Sun, 13 Mar 2011 16:31:44 +0000 martin http://comunicacionquimica.wordpress.com/?p=57 ]]> http://comunicacionquimica.wordpress.com/2011/03/13/transferencia-electronica-en-el-complejo-proteico-de-p450/feed/ 0 martin http://comunicacionquimica.wordpress.com/2008/07/13/ct-parameters-estimated-by-ks-approach-and-md/ http://comunicacionquimica.wordpress.com/2008/07/13/ct-parameters-estimated-by-ks-approach-and-md/#comments Sun, 13 Jul 2008 21:19:19 +0000 martin http://comunicacionquimica.wordpress.com/?p=54 ]]> http://comunicacionquimica.wordpress.com/2008/07/13/ct-parameters-estimated-by-ks-approach-and-md/feed/ 0 martin http://comunicacionquimica.wordpress.com/2008/07/09/biochemical-mechanism-estimated-by-td-dft-scheme/ http://comunicacionquimica.wordpress.com/2008/07/09/biochemical-mechanism-estimated-by-td-dft-scheme/#comments Wed, 09 Jul 2008 14:03:18 +0000 martin http://comunicacionquimica.wordpress.com/?p=49 ]]> http://comunicacionquimica.wordpress.com/2008/07/09/biochemical-mechanism-estimated-by-td-dft-scheme/feed/ 1 martin http://comunicacionquimica.wordpress.com/2008/06/29/gap-and-splitting-energy-two-important-parameters-for-charge-transfer-ct-process/ http://comunicacionquimica.wordpress.com/2008/06/29/gap-and-splitting-energy-two-important-parameters-for-charge-transfer-ct-process/#comments Sun, 29 Jun 2008 11:41:50 +0000 martin http://comunicacionquimica.wordpress.com/?p=46 ]]> http://comunicacionquimica.wordpress.com/2008/06/29/gap-and-splitting-energy-two-important-parameters-for-charge-transfer-ct-process/feed/ 0 martin http://comunicacionquimica.wordpress.com/2008/06/15/excess-electron-and-hole-tranfer/ http://comunicacionquimica.wordpress.com/2008/06/15/excess-electron-and-hole-tranfer/#comments Sun, 15 Jun 2008 21:19:48 +0000 martin http://comunicacionquimica.wordpress.com/?p=42 ]]> http://comunicacionquimica.wordpress.com/2008/06/15/excess-electron-and-hole-tranfer/feed/ 0 martin sensitization scheme http://comunicacionquimica.wordpress.com/2008/06/07/fotoquimica-y-aromaticidad/ http://comunicacionquimica.wordpress.com/2008/06/07/fotoquimica-y-aromaticidad/#comments Sat, 07 Jun 2008 20:39:47 +0000 martin http://comunicacionquimica.wordpress.com/?p=40 ]]> http://comunicacionquimica.wordpress.com/2008/06/07/fotoquimica-y-aromaticidad/feed/ 0 martin http://comunicacionquimica.wordpress.com/2008/05/10/naturaleza-previsora/ http://comunicacionquimica.wordpress.com/2008/05/10/naturaleza-previsora/#comments Sat, 10 May 2008 13:09:55 +0000 martin http://comunicacionquimica.wordpress.com/?p=38 ]]> http://comunicacionquimica.wordpress.com/2008/05/10/naturaleza-previsora/feed/ 0 martin http://comunicacionquimica.wordpress.com/2008/05/01/un-nanowire-puede-ser-un-nanotree/ http://comunicacionquimica.wordpress.com/2008/05/01/un-nanowire-puede-ser-un-nanotree/#comments Thu, 01 May 2008 19:51:18 +0000 martin http://comunicacionquimica.wordpress.com/?p=37 ]]> http://comunicacionquimica.wordpress.com/2008/05/01/un-nanowire-puede-ser-un-nanotree/feed/ 0 martin