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- [34] PROPERTIES OF TRANSITION SPECIES IN THE REACTION OF HYDROXYL WITH ETHANE FROM AB-INITIO CALCULATIONS AND FITS TO EXPERIMENTAL-DATA JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (21): : 8661 - 8668
- [36] Importance of orbital complementarity in spin coupling through two different bridging groups in dicopper(II) complexes of endogenous alkoxo bridging ligand with exogenous carboxylate:: Ab-initio and semi-empirical calculations ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2007, 62 (7-8): : 409 - 416
- [38] JOINT TREATMENT OF AB-INITIO AND EXPERIMENTAL-DATA IN MOLECULAR-FORCE FIELD CALCULATIONS WITH TIKHONOVS METHOD OF REGULARIZATION JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (02): : 1414 - 1424
- [39] Optical properties of emeraldine salt polymers from ab initio calculations: Comparison with recent experimental data JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (11): : 2800 - 2805