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Kết quả 1-3 trong 92
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14 13 19 86 65 79 80 58 66 47 48 COMPUTATIONAL DETAILS AND THE ACCURACY OF FULLERENE CALCULATIONS All calculations ... stants o were calculated in the framework of the GIAO method [ 20 , 21 ) at the B3LYP / 6-31G * // B3LYP / 6- Fig .
14 13 19 86 65 79 80 58 66 47 48 COMPUTATIONAL DETAILS AND THE ACCURACY OF FULLERENE CALCULATIONS All calculations ... stants o were calculated in the framework of the GIAO method [ 20 , 21 ) at the B3LYP / 6-31G * // B3LYP / 6- Fig .
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Calculated and experimental frequencies of IR- and Raman - active normal modes of fullerene Coo and the carbon skeleton ( C20 ) in dodecahedrane C20H20 C60 C20H20 Vi 6-31G * ( 22 ) 6-31GA 6-316 exp .
Calculated and experimental frequencies of IR- and Raman - active normal modes of fullerene Coo and the carbon skeleton ( C20 ) in dodecahedrane C20H20 C60 C20H20 Vi 6-31G * ( 22 ) 6-31GA 6-316 exp .
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Unfortunately , calculation of the vibrational frequencies of asymmetric structures is impracticable , and the ... H , were calculated in the framework of the GIAO method ( 13 , 14 ) at the B3LYP / 6-31G * // B3LYP / 6-31G * level .
Unfortunately , calculation of the vibrational frequencies of asymmetric structures is impracticable , and the ... H , were calculated in the framework of the GIAO method ( 13 , 14 ) at the B3LYP / 6-31G * // B3LYP / 6-31G * level .
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Vol 49 No 5 | 662 |
Synthesis and XRay Diffraction Characteristics of MMgDyMn206 M Li Na K | 674 |
Synthesis and Crystal Structure | 685 |
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absorption according acid activation addition analysis angles anion appear atoms band bond cage calculated carbon cation cell changes charge Chem chemical Chemistry clusters compared complexes composition compounds concentration constants containing coordination Copyright corresponding crystal curves decreases determined distances effect electron energy enthalpy existence experimental extraction formation formed frequencies function groups heating HTSC hydrides hydrogen increase Inorg Inorganic interaction ionic ions Journal Khim layers lengths ligand magnetic materials measured melting metal method mixture mol/l molecules Moscow Neorg observed obtained oxide oxygen parameters phase Physics plane positions prepared presence properties range ratio reaction REFERENCES respectively Russian salt sample Sciences shifts shows similar solid solution space group spectra spectrum stability structure studied symmetry synthesis Table temperature thermal tion transition unit values vibrations
Thông tin thư mục
| Tiêu đề | Russian Journal of Inorganic Chemistry, Tập 49,Số phát hành 5-7 |
| Cộng tác viên | British Library. Lending Division, Royal Society of Chemistry (Great Britain), Chemical Society (Great Britain) |
| Nhà xuất bản | British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2004 |
| Xuất lời trích dẫn | BiBTeX EndNote RefMan |