... Several approximations of the dependence of the Mulliken atomic charges and dipole moments of the crystallographically independent oxygen atoms calculated with the STO-3G, ps-21G , and 6-21G basis sets are obtained with respect to three oxygen parameters (i.e. average value and difference between the Al´O and P´O bond distances, and Al´O´P angle). ... The absolute values of the dipole moments calculated with the ps-21G and 6-21G basis sets decrease almost linearly with angle (Fig. 4 and Table 5). ...

Åùå â ðàçäåëå: (Ïîêàçàòü âñå ðåçóëüòàòû (>2) - beams.chem.msu.ru/ )

• http://beams.chem.msu.ru/doc/Dynamical_systems_Theory_and_applications.pdf

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

244. NPIDB: Best resolution sample

245. http://anspa.msu.ru/linkpics/News/5-9.04China.doc