Astronet Поиск по астрономическим сайтам English Russian
       
        Точная форма слов   О проекте   Сайты   Справка
Поиск по:classic.chem.msu.su/    - Поискать по всем серверам
Найдено документов: 58 ---- Время поиска: 0.13сек.   
Каталог астрономических ресурсов

  • Наблюдения, инструменты и базы данных
  • Астрометрия и служба времени
  • Небесная механика и гравиметрия
  • Теоретическая астрофизика
  • Солнечная система
    		•
  • Звезды
  • Галактики, квазары, космология
  • Исследование космоса
  • Общие вопросы
  • Прочее

    • Пред. | 1 | 2 | 3 | 4 | 5 | 6 | След.

    21. PC GAMESS v. 7.1.1 benchmarks and scalability on Infiniband Opteron Windows CCS
    ... direct CASSCF(12,12) for medium-size system (retinal molecule, cc-pVDZ, 565 Cartesian basis functions) using ALDET code ... gradient of first excited state of medium-size system (porphyrin molecule, cc-pVTZ (aug-cc on Nitrogens), 1130 Cartesian basis ...
    [ Сохраненная копия ]  Ссылки http://classic.chem.msu.su/gran/gamess/ccs.html -- 35.7 Кб -- 25.04.2009
    Похожие документы

    22. PC GAMESS v. 7.0.7 benchmarks and scalability on Myrinet Opteron Linux cluster
    ... direct CASSCF(12,12) for medium-size system (retinal molecule, cc-pVDZ, 565 Cartesian basis functions) using ALDET code ... gradient of first excited state of medium-size system (porphyrin molecule, cc-pVTZ (aug-cc on Nitrogens), 1130 Cartesian basis ...
    [ Сохраненная копия ]  Ссылки http://classic.chem.msu.su/gran/gamess/mpich-mx.html -- 16.4 Кб -- 25.04.2009
    Похожие документы

    23. Firefly v. 7.1.G benchmarks on dual Intel Xeon W5580-based system
    ... direct CASSCF(12,12) for medium-size system (retinal molecule, cc-pVDZ, 565 Cartesian basis functions) using ALDET code ... gradient of first excited state of medium-size system (porphyrin molecule, cc-pVTZ (aug-cc on Nitrogens), 1130 Cartesian basis ...
    [ Сохраненная копия ]  Ссылки http://classic.chem.msu.su/gran/gamess/w5580.html -- 67.4 Кб -- 17.04.2011
    Похожие документы

    24. http://classic.chem.msu.su/gran/gamess/mp2par.pdf
    ... molecules System Basis N c n Total time, 1 node min. 2 nodes 4 nodes Aspirin Porphine Yohimbine -Pinene Cadion 6-31G** 520 26 69 282 147 73 6-311G (3df,3p) 602 10 28 646 322 160 cc-pVTZ 1120 26 64 1579 767 6-311G** 6-31G** 295 13 34 37 19 10 430 24 57 47 ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/mp2par.pdf -- 303.0 Кб -- 06.06.2006
    Похожие документы

    25. http://classic.chem.msu.su/gran/gamess/marek/en/docs/PCG-Tutorial-Usage.pdf
    ... able to calculate chemical behaviour of molecules used in research with an adequate ... Build molecules from scratch using cartesian or internal coordinates. ... For visualizing calculated molecules one need a tool like MacMolPlt, which at it ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/marek/en/docs/PCG-Tutorial-Usage.pdf -- 1018.2 Кб -- 28.10.2008
    Похожие документы

    26. PC GAMESS v. 7.1.4 benchmarks and scalability: Barcelona vs. Clovertown vs.
    ... direct CASSCF(12,12) for medium-size system (retinal molecule, cc-pVDZ, 565 Cartesian basis functions) using ALDET code ... gradient of first excited state of medium-size system (porphyrin molecule, cc-pVTZ (aug-cc on Nitrogens), 1130 Cartesian basis ...
    [ Сохраненная копия ]  Ссылки http://classic.chem.msu.su/gran/gamess/barcelona.html -- 90.4 Кб -- 04.12.2009
    Похожие документы

    27. http://classic.chem.msu.su/gran/gamess/marek/en/docs/PCG-Tutorial-Basis.pdf
    ... sets, but if we want to assay a molecule with more typical size we have to make some ... in less computational effort there were done some benchmarks on typical molecules ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/marek/en/docs/PCG-Tutorial-Basis.pdf -- 901.3 Кб -- 28.10.2008
    Похожие документы

    28. PC GAMESS benchmarks and scalability on various eight-core (four dual-core and
    ... direct CASSCF(12,12) for medium-size system (retinal molecule, cc-pVDZ, 565 Cartesian basis functions) using ALDET code ... gradient of first excited state of medium-size system (porphyrin molecule, cc-pVTZ (aug-cc on Nitrogens), 1130 Cartesian basis ...
    [ Сохраненная копия ]  Ссылки http://classic.chem.msu.su/gran/gamess/eight_core_systems.html -- 155.5 Кб -- 25.04.2009
    Похожие документы

    29. PC GAMESS/Firefly test output
    ... G(d,p) single point energy calculation THE POINT GROUP OF THE MOLECULE IS CNV THE ORDER OF THE PRINCIPAL AXIS IS 2 ATOM ATOMIC ...
    [ Сохраненная копия ]  Ссылки http://classic.chem.msu.su/gran/gamess/water_out.html -- 36.0 Кб -- 19.02.2009
    Похожие документы

    30. PC GAMESS/Firefly DOCUMENTATION - two-electron integrals precision
    ... This allows to use fdiff option even for very large molecules and basis sets, but causes performance degradation for smaller systems, where the default value of ICUT (9) usually works fine. ...
    [ Сохраненная копия ]  Ссылки http://classic.chem.msu.su/gran/gamess/inttyp.html -- 3.4 Кб -- 18.03.2009
    Похожие документы

    Пред. | 1 | 2 | 3 | 4 | 5 | 6 | След.

    Rambler's Top100 RFBR Яндекс цитирования