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Ab initio and regularized force fields of haloethanes: CH[sub 3]CH[sub 2]Cl, CH[sub 3]CHCl[sub 2], CH[sub 3]CF[sub 2]Cl, and CH[sub 3]CFCl[sub 2]
Wed, 02/13/2013 - 3:40pm — ldowdall
| Title | Ab initio and regularized force fields of haloethanes: CH[sub 3]CH[sub 2]Cl, CH[sub 3]CHCl[sub 2], CH[sub 3]CF[sub 2]Cl, and CH[sub 3]CFCl[sub 2] |
| Publication Type | Journal Article |
| Year of Publication | 1998 |
| Authors | Kuramshina, GM, Weinhold, F, Pentin, YA |
| Journal | The Journal of Chemical Physics |
| Volume | 109 |
| Pagination | 7286-7299 |
| Keywords | ab initio calculations, isomerism, isotope shifts, molecular force constants, organic compounds, vibrational states |
| DOI | 10.1063/1.477404 |
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