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10.1002/jcc.23612 http://scihub22266oqcxt.onion/10.1002/jcc.23612 C4119322!4119322!24752384     free     free     free Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Comput+Chem 2014 ; 35 (15): 1159-64 Nephropedia Template TP {{tp|p=24752384|t=2014. Transferable Pseudo-Classical Electrons for Aufbau of Atomic Ions |pdf=|usr=}}{{24752384}} gab.com Text Transferable Pseudo-Classical Electrons for Aufbau of Atomic Ions JO: J Comput Chem http://www.kidney.de/pget.php?&tw=1&pmid=24752384 #FOAvip Generalizing the LEWIS reactive force field from electron pairs to single electrons, we present LEWIS? in which explicit valence electrons interact with each other and with nuclear cores via pairwise interactions. The valence electrons are independently mobile particles, following classical equations of motion according to potentials modified from Coulombic as required to capture quantum characteristics. As proof of principle, the aufbau of atomic ions is described for diverse main group elements from the first three rows of the periodic table, using a single potential for interactions between electrons of like spin and another for electrons of unlike spin. The electrons of each spin are found to distribute themselves in a fashion akin to the major lobes of the hybrid atomic orbitals, suggesting a pointillist description of the electron density. The broader validity of the LEWIS? force field is illustrated by predicting the vibrational frequencies of diatomic and triatomic hydrogen species. Twit Text FOAVip Transferable Pseudo-Classical Electrons for Aufbau of Atomic Ions ????J Comput Chem http://www.kidney.de/pget.php?&tw=1&pmid=24752384 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=24752384 #FOAvip English Wikipedia <ref>{{Cite pmid|24752384}}</ref> Transferable Pseudo-Classical Electrons for Aufbau of Atomic Ions #MMPMID24752384 Ekesan S; Kale S; Herzfeld J J Comput Chem 2014[Jun]; 35 (15): 1159-64 PMID24752384show ga Generalizing the LEWIS reactive force field from electron pairs to single electrons, we present LEWIS? in which explicit valence electrons interact with each other and with nuclear cores via pairwise interactions. The valence electrons are independently mobile particles, following classical equations of motion according to potentials modified from Coulombic as required to capture quantum characteristics. As proof of principle, the aufbau of atomic ions is described for diverse main group elements from the first three rows of the periodic table, using a single potential for interactions between electrons of like spin and another for electrons of unlike spin. The electrons of each spin are found to distribute themselves in a fashion akin to the major lobes of the hybrid atomic orbitals, suggesting a pointillist description of the electron density. The broader validity of the LEWIS? force field is illustrated by predicting the vibrational frequencies of diatomic and triatomic hydrogen species. äTransferable Pseudo-Classical Electrons for Aufbau of Atomic Ions (epmc).pdf DeepDyve Pubget Overpricing