... The method uses calculated AMMs to calibrate approximate dependencies and allows the construction of molecular charge distribution for any sieve in two steps. ... Figure 5. (a) Electrostatic potential values (EP, au) with respect to the O2-O5-O5 plane (the three atoms are shown in the low right corner) of the XRD non optimized model of APC calculated with the STO-3G basis set; (b) electrostatic field values (EF, au); (c) EF evaluation errors presented as (1 - EFapp(L = 4)/EFcal(L = 4))(100 (%). ...

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FC3 [root@lhe05 rud]# df -h Filesystem Size Used Avail Use% Mounted on /dev/hda2 4.4G 3.2G 946M 78% / /dev/hda5 4.1G 2.9G 1.1G 74% /home /dev/hda6 15G 9.8G 4.0G 72% /data1 /dev/hda7 15G 11G 3.0G 79% /data2 ============================================================ ls -lF /data1 >> /home/rud/lhe05_disks.ls total 28 drwxr-xr-x 3 root root 4096 Dec 18 2004 WinXp/ drwxrwxr-x 5 irina irina 4096 Jun 29 2003 irina/ drwx------ 2 root users 16384 Jan 1 2002 lost+found/ find /data1 -type f -exec ls -lhF {} \; | cat

208. http://oc.cs.msu.su/smirnov/PPP/beameruserguide.pdf