<style face="normal" font="default" size="100%">Density functional response approach for electric properties of molecules</style>

Drupal-Biblio

47

<style face="normal" font="default" size="100%">Density functional response approach for electric properties of molecules</style>

Drupal-Biblio

17

<style face="normal" font="default" size="100%">Density functional static dipole polarizability and first-hyperpolarizability calculations of Na-n (n=2, 4, 6, 8) clusters using an approximate CPKS method and its comparison with MP2 calculations</style>

Drupal-Biblio

17

<style face="normal" font="default" size="100%">Deprotonation of 1,2-dialkylpyridinium ions: a DFT study of reactivity and site selectivity</style>

Drupal-Biblio

17

<style face="normal" font="default" size="100%">Dipole moments and polarizabilities of some small radicals using constrained variational response to fock-space multi-reference coupled-cluster theory</style>

Drupal-Biblio

17

<style face="normal" font="default" size="100%">Density functional investigations of electronics structure and dehydrogenation reactions of Al- and Si-substituted magnesium hydride</style>

Drupal-Biblio

17

<style face="normal" font="default" size="100%">Density functional investigation of relativistic effects on the structure and reactivity of tetrahedral gold clusters</style>

Drupal-Biblio

5

<style face="normal" font="default" size="100%">Descriptors as probes for inter-molecular interactions and external perturbation</style>

Drupal-Biblio

17

<style face="normal" font="default" size="100%">Dinitrogen activation by silicon and phosphorus doped aluminum clusters</style>

Drupal-Biblio

17

<style face="normal" font="default" size="100%">Dissociative adsorption of molecular hydrogen on BN-doped graphene-supported aluminum clusters</style>

Drupal-Biblio

17

<style face="normal" font="default" size="100%">Dissociative chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters: a computational study</style>