000 | 03160mam a2200361 a 4500 | ||
---|---|---|---|
001 | 1896970 | ||
003 | BD-DhUL | ||
005 | 20140915170026.0 | ||
008 | 960502s1996 gw a b 100 0 eng d | ||
020 | _a3540608699 (SpringerVerlag) | ||
020 | _a2868832636 (Les Editions de Physique) | ||
035 | _a(OCoLC)ocm34667247 | ||
040 |
_aCIN _cCIN _dPMC _dAGL _dOrLoB-B _dBD-DhUL |
||
082 |
_a530.12 _bQUA |
||
245 | 0 | 0 |
_aQuantum mechanical simulation methods for studying biological systems : _bLes Houches Workshop, May 2-7, 1995 / _ceditors, Dominique Bicout, Martin Field. |
260 |
_aBerlin ; _aNew York : _bSpringer-Verlag ; _aLes Ulis : _bLes Editions de Physique ; _aCambridge, MA : _bPCG Inc., _cc1996. |
||
300 |
_axiv, 311 p. : _bill. ; _c24 cm. |
||
365 |
_aBGP _b60.00 |
||
490 | 1 |
_aCentre de physique, Les Houches ; _v4 |
|
504 | _aIncludes bibliographical references. | ||
505 | 0 | 0 |
_gLecture 1. _tDensity functional theory / _rN. C. Handy -- _gLecture 2. _tPractical density functional approaches in chemistry and biochemistry / _rA. St-Amant -- _gLecture 3. _tA quantum chemical view of the initial photochemical event in photosynthesis / _rM. C. Zerner -- _gLecture 4. _tCurve crossing in a protein: coupling of the elementary quantum process to motions of the protein / _rK. Schulten -- _gLecture 5. _tQuantum-classical molecular dynamics. Models and applications / _rP. Bala, P. Grochowski, B. Lesyng and J. A. McCammon -- _gLecture 6. _tQuantum dynamics simulation of a small quantum system embedded in a classical environment / _rH. J. C. Berendsen and J. Mavri -- _gLecture 7. _tA tubular view of electron transfer in azurin / _rJ. J. Regan and J. N. Onuchic -- _gLecture 8. _tBiological electron transfer: measurement, mechanism, engineering requirements / _rC. C. Moser and P. L. Dutton -- |
505 | 8 | 0 |
_gLecture 9. _tThe photodetachment of an electron from a chloride ion in water studied by quantum molecular dynamics simulation / _rA. Staib and D. Borgis -- _gLecture 10. _tQuantum chemistry of in situ retinal: study of the spectral properties and dark adaptation of Bacteriorhodopsin / _rI. Logunov and K. Schulten -- _gLecture 11. _tTowards an understanding of quantum factors in small ligand geminate recombination to heme proteins / _rW. Nowak and J.-L. Martin -- _gLecture 12. _tA parallel direct SCF method for large molecular systems / _rT. R. Furlani and H. F. King -- _gLecture 13. _tMultigrid electrostatic computations in density functional theory / _rM. P. Merrick, K. A. Iyer and T. L. Beck -- _gLecture 14. _tSymmetry-oriented research of polymers PC program POLSym and DNA / _rI. Milosevic, A. Damjanovic and M. Damnjanovic. |
650 | 0 |
_aBiomolecules _xStructure _xComputer simulation _vCongresses. |
|
650 | 0 |
_aBiomolecules _xStructure _xMathematical models _vCongresses. |
|
650 | 0 |
_aProteins _xStructure _xComputer simulation _vCongresses. |
|
650 | 0 |
_aProteins _xStructure _xMathematical models _vCongresses. |
|
650 | 0 |
_aStructure-activity relationships (Biochemistry) _vCongresses. |
|
700 | 1 | _aBicout, Dominique. | |
700 | 1 | _aField, Martin. | |
830 | 0 |
_aCentre de physique des Houches (Series) ; _v4. |
|
900 |
_aAUTH _bTOC |
||
942 |
_2ddc _cBK |
||
999 |
_c10694 _d10694 |