000			00834nam a2200181Ia 4500
999			_c186970 _d186970
020			_a9781849736084
040			_cCUS
082			_a541.280285 _bMCD/C
100			_aMcDocuall, Joseph J. W _96409
245		0	_aComputational quantum chemistry : molecular structure and properties in silico/
260			_aUK: _bRSC, _c2013.
300			_axiii, 278p. _c24 cm.
505			_a1 Computational Quantum Chemistry; 2 Computational Electronic Structure Theory: 3 The Computation of Molecular Properties: 4 Understanding Molecular Wavefunctions, 5 Orbitals and Densities: 6 Relativistic Effects and Electronic Structure Theory: 7 Subject Index;
650			_aQuantum chemistry--Data processing _96410
650			_aMolecular structure--Computer simulation _96411
650			_aChromatographic analysis _95041
942			_cWB16 _02