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    51. http://classic.chem.msu.su/gran/gamess/Firefly_input_rev002.pdf
    ... Molecule, basis, wavefunction specification: $CONTRL $SYSTEM $D5 $DFT $BASIS $DATA ... molecules (C4v or D4h) must lie along the z axis, so do not try to reorient linear ... molecule interaction is modeled by Lennard-Jones type potentials, R^-6 for ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/Firefly_input_rev002.pdf -- 1294.1 Кб -- 01.03.2009
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    52. http://classic.chem.msu.su/gran/gamess/tutor.pdf
    ... How GAMESS is used in chemical research? To predict structures of both equilibrium and transition states of molecules in various electronic states. ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/tutor.pdf -- 281.5 Кб -- 25.06.2006
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    53. http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_PC-GAMESS-Firefly-Quick_Start_Guide.pdf
    ... If Firefly fails to generate DLCs it probably means you have "disjointed" pieces in your molecule and you should add nonvdw(1)=... keyword to $zmat as appropriate to complete your zmatrix. ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_PC-GAMESS-Firefly-Quick_Start_Guide.pdf -- 131.9 Кб -- 23.02.2009
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    54. http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_Firefly-Quick_Start_Guide_Rev3.pdf
    ... If Firefly fails to generate DLCs it probably means you have "disjointed" pieces in your molecule and you should add nonvdw(1)=... keyword to $zmat as appropriate to complete your zmatrix. ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_Firefly-Quick_Start_Guide_Rev3.pdf -- 650.6 Кб -- 07.03.2010
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    55. http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_Firefly-Quick_Start_Guide_Rev4.pdf
    ... If Firefly fails to generate DLCs it probably means you have "disjointed" pieces in your molecule and you should add nonvdw(1)=... keyword to $zmat as appropriate to complete your zmatrix. ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_Firefly-Quick_Start_Guide_Rev4.pdf -- 659.4 Кб -- 06.01.2013
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    56. http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_PC-GAMESS-Firefly-Install_Notes_Usage_Guide.pdf
    ... If Firefly fails to generate DLCs it probably means you have "disjointed" pieces in your molecule and you should add nonvdw(1)=... keyword to $zmat as appropriate to complete your zmatrix. ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_PC-GAMESS-Firefly-Install_Notes_Usage_Guide.pdf -- 178.0 Кб -- 23.02.2009
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    57. http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_Firefly-Install_Notes_Usage_Guide_Rev3.pdf
    ... If Firefly fails to generate DLCs it probably means you have "disjointed" pieces in your molecule and you should add nonvdw(1)=... keyword to $zmat as appropriate to complete your zmatrix. ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_Firefly-Install_Notes_Usage_Guide_Rev3.pdf -- 680.8 Кб -- 07.03.2010
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    58. http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_Firefly-Install_Notes_Usage_Guide_Rev4.pdf
    ... If Firefly fails to generate DLCs it probably means you have "disjointed" pieces in your molecule and you should add nonvdw(1)=... keyword to $zmat as appropriate to complete your zmatrix. ...
    [ Текст ]  Ссылки http://classic.chem.msu.su/gran/gamess/macosx/Mac_OS_X_Firefly-Install_Notes_Usage_Guide_Rev4.pdf -- 689.8 Кб -- 06.01.2013
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