Russian Journal of Inorganic Chemistry, Tập 48,Số phát hành 9-12Chemical Society., 2003 |
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Trang 1383
... kcal / mol for H5O2 and AE1-2 ( tot ) = -12.21 kcal / mol for H , O * . The second period At2 lasts for 0.045 ps for H5O2 and 0.068 ps for H , O4 . Its end is marked by an energy drop of AE2-3 ( tot ) = - 11.12 kcal / mol for H , O2 and ...
... kcal / mol for H5O2 and AE1-2 ( tot ) = -12.21 kcal / mol for H , O * . The second period At2 lasts for 0.045 ps for H5O2 and 0.068 ps for H , O4 . Its end is marked by an energy drop of AE2-3 ( tot ) = - 11.12 kcal / mol for H , O2 and ...
Trang 1387
... kcal / mol . The magni- tude of oscillations is higher during hydrogen elimina- tion . These oscillations are apparently associated with angle / bond rearrangements in the bulk water accompa- nied by formation - dissociation of hydrogen ...
... kcal / mol . The magni- tude of oscillations is higher during hydrogen elimina- tion . These oscillations are apparently associated with angle / bond rearrangements in the bulk water accompa- nied by formation - dissociation of hydrogen ...
Trang 1532
... kcal / mol ( table ) . When two impurity atoms are linked through a two - membered ring or a direct bond ( configurations C3 and C4 ) , the system is significantly destabilized ( table ) . Evidently , the pro- bability of formation of ...
... kcal / mol ( table ) . When two impurity atoms are linked through a two - membered ring or a direct bond ( configurations C3 and C4 ) , the system is significantly destabilized ( table ) . Evidently , the pro- bability of formation of ...
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Vol 48 No 9 | 1282 |
Simultaneous English language translation of the journal is available from MAIK NaukaInterperiodica Russia | 1446 |
Vol 48 No 11 2003 | 1615 |
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absorption acid activation analysis angles anion atoms band bond calculated cations Chem chemical Chemistry cm-¹ complexes components composition compounds concentration constant containing coordination Copyright corresponding crystal crystal structure curves decreases determined diagram distances effect electron energy experimental field formation formed function heating hydrogen increases Inorganic intensity interaction ions Journal Khim layer ligand materials measured melting metal method mixture molecules Moscow Neorg Note observed obtained oxidation oxygen parameters phase Physics positions prepared properties range ratio reaction REFERENCES refined reflections region respectively ring Russian salt samples Sciences shifts shown shows signals single sodium solid solid solutions solubility solutions space space group spectra spectrum spinel stability structure studied Synthesis Table temperature thermal tion trans transition Translation values vibrations X-ray diffraction