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<font color="#800080" size="4"><strong>MOPAC</strong></font><br /><br />MOPAC은 gas, solution, solid-state 상의 반응과 화학적 성질에 관한 연구를 위한 semi-empirical 프로그램이다. <br />이것을 이용해서 물리 화학적 성질을 계산하고 예측할수 있으며 최근에는 QSAR분야에서 다양한 생리활성도 또는 <br />독성 및 vapor pressure, water solubility 같은 물리 화학적 성질 예측 분야에 이용되고 있다.<br /><br /><br /><font color="#99cc00" size="3"><strong># 활용분야</strong></font><br />-Macromolecules: MOZYME 알고리듬을 이용한 단백질,DNA등의 구조 최적화. <br />-Materials: d-orbitals, crystals, geometry in electric fields, NLO, 2D/3D periodic boundaries <br />-Polymers: band structures, phonon spectra, Young's modulus, tensile strength <br />-Dyes: MOS-F for UV spectra prediction, intersystem corssing, excited states in solution <br />-Synthesis: thermodynamics, kinetics, transition-states, reaction paths, solvation, catalysis<br /><br /><font color="#99cc00" size="3"><strong># 시스템 사양</strong></font><br /><font face="굴림" size="2">-Silicon Graphics Origin, O2, OCTANE, Onyx2, PowerCallenge (IRIX 6.2 through 6.5)</font> <br /><font face="굴림" size="2">-COMPAQ alphaServer (Tr64 UNIX 4.0)</font> <br /><font face="굴림" size="2">-Hewlett-Packard HP9000 (HP-UX 11.0)</font> <br /><font face="굴림" size="2">-Sun Sparc/UltraSparc Workstation (Solaris 2.4, 2.5, and 7)</font> <br /><font face="굴림" size="2">-Fujitsu VX.VPP300/VPP700 (UXPV10L20)</font> <br /><font face="굴림" size="2">-Intel x86 based systems (Microsoft Windows 95/98/NT4.0)</font> <br /><font face="굴림" size="2">-COMPAQ Professional Workstation (Windows NT4.0 and Tru64 UNIX 4.0)</font> <br /><br /><br /><br /><a href="http://www.chems.co.kr/products/Fujitsu/images/mol.gif">http://www.chems.co.kr/products/Fujitsu/images/mol.gif</a> <a href="http://www.chems.co.kr/products/Fujitsu/images/mopac_htm_smartbutton1.gif">http://www.chems.co.kr/products/Fujitsu/images/mopac_htm_smartbutton1.gif</a><br /><a href="http://www.chems.co.kr/products/Fujitsu/images/mopac_htm_smartbutton2.gif">http://www.chems.co.kr/products/Fujitsu/images/mopac_htm_smartbutton2.gif</a><br /><br />MOPAC home : <a href="http://www.cachesoftware.com/techsupport/mopac/">http://www.cachesoftware.com/techsupport/mopac/</a><br /><br />30일 데모 : <a href="http://www.chems.co.kr/products/Fujitsu/MOPAC_download.htm">http://www.chems.co.kr/products/Fujitsu/MOPAC_download.htm</a>