| 000 | 01253nam a22002177a 4500 | ||
|---|---|---|---|
| 005 | 20230315114040.0 | ||
| 008 | 230313b ||||| |||| 00| 0 eng d | ||
| 020 | _a978111825990 | ||
| 040 | _cAL | ||
| 041 | _aeng | ||
| 082 |
_223 _a541.0285 _bJENI |
||
| 100 |
_aFrank Jensen _975252 |
||
| 245 | _aIntroduction to computational chemistry | ||
| 250 | _a3rd ed. | ||
| 260 |
_aNew Delhi _bWiley _c2017 |
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| 300 |
_axxii,638p. _bPB _c24x19cm. |
||
| 365 |
_2General _a8200 _b₹6111.00 _c₹ _d₹7834.00 _e22% _f3-03-2023 |
||
| 520 | _aIntroduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods | ||
| 650 |
_2Chemistry _aPhysical Theoretical _975253 |
||
| 942 |
_2ddc _cBK |
||
| 999 |
_c227017 _d227017 |
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