S.SELVARAJ
SCHOOL OF CHEMISTRY
RESEARCH SCHLOAR
BHARATHIODASAN UNIVERSITY
TIRUCIRAPALLI -620 024
TAMIL NADU INDIA
MOBILE :9600673056
email :selvacbm++yahoo.co.in
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href="http://www.spresiweb.de" class="clickaider_track_me"><img src="http://chemport.ipe.ac.cn/AD/banner_spresi_26.04.07.jpg" width="468" height="60" border="0"></a></DIV> </TD> <TD> <font size = "1" color = "#666666">ÏëÖ§³ÖChINÍøÕ¾Âð£¿ÁªÏµxxia%!at!%home.ipe.ac.cn</font> </TD> </TR> </TBODY> </TABLE> <br> ¹ã¸æ½áβ --><!-- image ¹ã¸æÇø2 <TABLE border="0" align="center"> <TBODY> <TR> <TD width=468 align="center"> <DIV><a href="http://www.hongdapu.com" class="clickaider_track_me"><img src="http://chemport.ipe.ac.cn/AD/hongda_new.gif" width="440" height="71" border="0" alt="http://www.hongdapu.com"></a></DIV> </TD> <TD> <font size = "1" color = "#666666">ÏëÖ§³ÖChINÍøÕ¾Âð£¿ÁªÏµxxia%!at!%home.ipe.ac.cn</font> </TD> </TR> </TBODY> </TABLE> <br> ¹ã¸æ½áβ --><!--google¹ã¸æ--Ò³Ê×--> <SCRIPT type=text/javascript><!-- google_ad_client = "pub-9186335261745759"; google_ad_width = 728; google_ad_height = 90; google_ad_format = "728x90_as"; google_ad_type = "text_image"; google_ad_channel =""; //--></SCRIPT> <SCRIPT src="ChIN¼ò½éÒ³QCPE Á¿»¯³ÌÐò½»»»_files/show_ads.js" type=text/javascript> </SCRIPT> <!--¹ã¸æ½áβ--></TD></TR></TR> <META content=ÀîÏþϼ name=author> <META content=ChIN-Manager name=generator> <META content=Öйú¿ÆÑ§Ôº¹ý³Ì¹¤³ÌÑо¿Ëù name=copyright> <META content="Wed, 05 Sep 2000 10:33:11 GMT" name=date> <META content="ÕâÊÇCSDL-ChINµÄ¼ò½éÒ³: QCPE: Á¿»¯³ÌÐò½»»»." name=description><!--#include virtual="/include/header.inc" --> <TR> <TD class=nav vAlign=top colSpan=3 height=43> <TABLE cellSpacing=0 cellPadding=0 width="100%" border=0> <P><A href="http://chemport.ipe.ac.cn/index.shtml">Ê×Ò³</A> > <A href="http://chemport.ipe.ac.cn/ListPageC/Software.shtml" target=_self>»¯Ñ§Èí¼þ</A> > <A href="http://chemport.ipe.ac.cn/ListPageC/L49.shtml" target=_self>»¯Ñ§Èí¼þĿ¼¼°ÍøÉÏÉ̵ê</A> <P></P></P> <TBODY></TBODY></TABLE></TD> <TR> <TD width=9 height=510></TD> <TD vAlign=top width=760 background="ChIN¼ò½éÒ³QCPE Á¿»¯³ÌÐò½»»»_files/chin.gif"> <P> </P> <P class=listtitle align=center>QCPE: Á¿»¯³ÌÐò½»»» </P><FONT class=listmain> <P>¡¾URL¡¿ <A href="http://qcpe.chem.indiana.edu/">http://qcpe.chem.indiana.edu/</A></P> <P>¡¾¼ò½é¡¿<BR> The web-accessible QCPE Catalog now has an entry for all QCPE programs. <BR>Customers can search the QCPE Catalog using Case-Sensitive or case-insensitive information.An archive of the QCPE Bulletin is now available. <BR><BR>Customers can now Download Programs directly from the QCPE Web Site. <BR>but you must first place an order. After your order is processed, you will receive a unique User ID and password for each program that you order. You may then select one of the QCPE program distributions listed below, and use your User ID and password to access the distribution. <BR><BR>About QCPE<BR><BR>QCPE promotes the practice of computational chemistry by gathering and distributing computer software for chemistry and related fields. QCPE holds approximately 772 computational chemistry systems, programs, and routines. Most programs are available in source code, and QCPE holds many of its programs in several versions for most popular computer platforms. These programs can be ordered from QCPE for a nominal distribution fee. <BR>Most QCPE programs are contributed to QCPE by their authors in the interest of advancing research and development in computational chemistry. QCPE works with the authors to test and certify new programs in order to minimize difficulties which future users may experience. QCPE also provides assistance to users who experience problems utilizing QCPE programs. Even though this assistance has practical limitations, the QCPE Staff is usually successful in solving these problems. <BR><BR>Due in part to the retirement of Richard Counts, the former Director of QCPE, QCPE is undergoing several changes. These changes include temporary suspension of the QCPE Subscription List, the quarterly QCPE Bulletin, the bi-weekly QCPE Current Awareness Profile on Quantum Chemistry, and the Annual QCPE Workshop on Computational Chemistry. The distribution of the annual QCPE Guide and Index to Available Programs and the QCPE Catalog has been replaced by the web-based QCPE Catalog (if you need a version of the Guide or Catalog, please contact QCPE). <BR><BR>The Changing Role of QCPE, authored by Richard Counts in 1989, provides a historical perspective of QCPE. </P> <P></P> <HR width="100%"> <P>Summary by <A href="mailto:xxia%!at!%home.ipe.ac.cn">ÀîÏþϼ</A> on 2000-09-05</P> <P>Last updated by <A href="mailto:xxia%!at!%home.ipe.ac.cn">ÀîÏþϼ</A> on 2000-09-05</P> <FORM name=UserComments action=/php/usercomments.php3 method=post target=p713><INPUT type=hidden value=713 name=SummaryPageID> <INPUT type=hidden value="QCPE: Á¿»¯³ÌÐò½»»»" name=SummaryPageTitle> <INPUT type=hidden value=C name=VER> <DIV align=right> <TABLE width="25%" border=0> <TBODY> <TR> <TD align=right width="74%"><INPUT type=submit value=ÄúµÄÆÀÂÛ name=B1> </TD> <TD align=right width="34%"><INPUT onclick=javascript:window.close() type=button value=¹Ø±Õ´°¿Ú name=B2> </TD></TR></TBODY></TABLE></DIV></FORM></FONT></TD> <TD width=9></TD><!--#include virtual="/include/footer.inc" --><!--#include virtual="/include/footer.inc" --> <TR> <TD vAlign=top align=middle colSpan=8 height=79><!--google¹ã¸æ--ҳβ--> <SCRIPT type=text/javascript><!-- google_ad_client = "pub-9186335261745759"; 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