Russian Journal of Inorganic Chemistry, Tập 45,Trang 983-1465Chemical Society., 2000 |
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Kết quả 1-3 trong 68
Trang 1070
... energy ( Etot , au ). = Geometry optimization of the molecular structures corresponding to the stationary points ( minimum points ( 20 ) and saddle points ( λ = 1 ) ; hereafter , λ stands for the number of negative eigenvalues of the Hes ...
... energy ( Etot , au ). = Geometry optimization of the molecular structures corresponding to the stationary points ( minimum points ( 20 ) and saddle points ( λ = 1 ) ; hereafter , λ stands for the number of negative eigenvalues of the Hes ...
Trang 1071
... energy ( ZPE , kcal / mol ) , relative energy corrected to the zero - point harmonic vibration energy ( AEZPE , kcal / mol ) a , and the lowest vibrational frequency ( w1 , cm - 1 ) or imaginary vibrational frequency ( iw , cm - 1 ) in ...
... energy ( ZPE , kcal / mol ) , relative energy corrected to the zero - point harmonic vibration energy ( AEZPE , kcal / mol ) a , and the lowest vibrational frequency ( w1 , cm - 1 ) or imaginary vibrational frequency ( iw , cm - 1 ) in ...
Trang 1080
... energy surfaces ( PESS ) were performed in the vicinity of key struc- tures of nonrigid lithium salt dimers ( LiNO ) 2 , ( LiPO ) 2 , ( LiNS ) 2 , and ( LiPS ) 1⁄2 with 24 valence electrons . A series of isomers was localized in which ...
... energy surfaces ( PESS ) were performed in the vicinity of key struc- tures of nonrigid lithium salt dimers ( LiNO ) 2 , ( LiPO ) 2 , ( LiNS ) 2 , and ( LiPS ) 1⁄2 with 24 valence electrons . A series of isomers was localized in which ...
Nội dung
Vol 45 No 7 | 983 |
Synthesis of Bismuth HTSC Homologues on Seed Crystals from Precursors Amorphous to Xrays | 990 |
Synthesis and Properties of Inorganic Compounds | 1000 |
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absorption According acid analysis angles anions aqueous atoms band bond calculated cations cell characteristics Chem chemical Chemistry cm-¹ complexes components composition compounds concentration constants containing coordination Copyright corresponding crystal curves decomposition decrease described determined diagram diffraction distances effect electron energy equation equilibrium experimental extraction fluorine formation frequencies given H₂O heating higher hydrogen increase indicates Inorganic intensity interaction ions Khim ligand lines measured melts metal method mixed mixture mol/l molecules Moscow Neorg observed obtained organic oxide oxygen parameters patterns peritectic phase Physics points positions powder prepared presented properties range ratio reaction REFERENCES region respectively Russian salts samples Sciences shift shows similar sodium solid solutions solubility space group spectra spectrum stability structure studied synthesis Table temperature ternary thermal tion transition unit values vibrations X-ray