Russian Journal of Inorganic Chemistry, Tập 46,Số phát hành 9-12British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2001 |
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Trang 1377
... energy of the H ... H bond ( 9 kcal / mol ) , which is larger than the energy of the H - bond in the ( HF ) , dimer . However , these cal- culations included no polarization functions on hydro- gen atoms , which are very important for ...
... energy of the H ... H bond ( 9 kcal / mol ) , which is larger than the energy of the H - bond in the ( HF ) , dimer . However , these cal- culations included no polarization functions on hydro- gen atoms , which are very important for ...
Trang 1379
... energy ( au , where 1 au = 627.5095 kcal / mol ) ; & is the number of negative eigenvalues of the Hessian ; AE is the rel- ative energy ( kcal / mol ) ; ZPE is zero - point energy ( au ) ; AEZPE is the relative energy including the zero ...
... energy ( au , where 1 au = 627.5095 kcal / mol ) ; & is the number of negative eigenvalues of the Hessian ; AE is the rel- ative energy ( kcal / mol ) ; ZPE is zero - point energy ( au ) ; AEZPE is the relative energy including the zero ...
Trang 1381
... energy minimum ( 20 ) in the poten- tial energy surface . The main difference of the AuH molecule from the CuH and AgH molecules considered above is the higher electronegativity of gold compared to hydrogen , which leads to a change in ...
... energy minimum ( 20 ) in the poten- tial energy surface . The main difference of the AuH molecule from the CuH and AgH molecules considered above is the higher electronegativity of gold compared to hydrogen , which leads to a change in ...
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Vol 46 No 9 | 1275 |
Chemical Properties of Higher Buckminster Fullerene Fluorides | 1282 |
Synthesis and Crystal Structure of the Binary Polyphosphate AgMnPO33 | 1288 |
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