²é¿´: 4775  |  »Ø¸´: 71
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û58´Î£¬×÷Õßfwang2011Ôö¼Ó½ð±Ò 46 ¸ö

fwang2011

½ð³æ (СÓÐÃûÆø)


[×ÊÔ´] A Guide to Molecular Mechanics and Quantum Chemical Calculations by: W.J. Hehre

Free Ebook, Price $75.

http://www.computational-chemistry.co.uk/free-ebook.html

download link is provided in the above site.

Enjoy.
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : AGuidetoMM.pdf
  • 2012-10-22 02:38:30, 10.7 M

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¹úÍâרҵµç×ÓÊé1 ÏȽø²ÄÁÏ ÎïÀíÇ°ÑØ »¯»·Éú±Ø±¸¡¾PDF¡¿
Á¿»¯Ñ§Ï°

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

043114076

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ºÜºÃµÄÒ»±¾Ê飬ֵµÃ¶ÁÒ»¶Á¡£Ö÷Òª²àÖØÓÚÀíÂÛÄ£Ð͵ÄÓ¦Óöø²»ÊÇÍÆµ¼¹ý³Ì£¬Õë¶Ôʵ¼ÊµÄÎÊÌâÈçºÎÑ¡ÔñºÏÊʼÆËãÄ£ÐÍ¡£
It focuses on the underpinnings of molecular mechanics and quantum chemical methods, their relationship with ¡°chemical observables¡±, their performance in reproducing known quantities and on the application of practical models to the investigation of molecular structure and stability and chemical reactivity and selectivity.
±¾ÊéµÄÄÚÈÝ×éÖ¯Ò²ºÜÓÐÌØÉ«¡£µÚÒ»ÕÂÊÇÊÆÄÜÃæµÄ½éÉÜ£¬ÒòΪÎÒÃǼÆËãµÃµ½µÄ·Ö×ӽṹºÍ¹ý¶É̬½á¹¹½ø¶øµÃµ½ÌåϵµÄÈÈÁ¦Ñ§ºÍ¶¯Á¦Ñ§ÐÔÖʶ¼Òª´ÓÊÆÄÜÃæµÄ½âÊͳö·¢¡£Õâ¸öÈÏʶȷʵÊǽÒʾÁË»¯Ñ§ÎÊÌâµÄ±¾ÖÊ¡£
Potential Energy Surfaces as the connection between structure and energetics, and shows how molecular equilibrium and Transition-state geometry as well as thermodynamic and kinetic information follow from interpretation of potential energy surfaces.
½ÓÏÂÀ´µÄÄÚÈÝ·ÖΪ¼ÆËãÄ£ÐͲ¿·Ö£¬¼ÆËãÌåϵ²¿·Ö£¬ÊµÓüÆËã²ßÂԺͰ¸Àý·ÖÎö¡£
ÊéÖÐʹÓõÄÊý¾ÝÊÇÓÃSpartan ³ÌÐòÍê³ÉµÄ¡£
10Â¥2012-10-22 12:50:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

bbslover

½ð³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¶àл·ÖÏí£¡
21Â¥2012-10-23 21:05:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

rosycloud

гæ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

·Ç³£ºÃµÄ×ÊÔ´£¬ÊµÓ㬸Ðл£¡
29Â¥2012-12-30 17:35:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Alexandre

Ìú³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Ç¿´óµÄСľ³æ°¡£¡
31Â¥2013-03-15 15:41:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

bsbpl

½ð³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¸Ðл¥Ö÷·ÖÏí£¡
32Â¥2013-06-09 18:00:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zzy870720z

ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

thanks
33Â¥2013-06-10 08:31:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
Quan.2Â¥
2012-10-22 07:13   »Ø¸´  
ÎåÐÇºÃÆÀ  Ð»Ð»·ÖÏí£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡
abbott3Â¥
2012-10-22 08:18   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
dreamyeye4Â¥
2012-10-22 08:54   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2012-10-22 09:01   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
yalefield6Â¥
2012-10-22 09:05   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
m21257Â¥
2012-10-22 10:16   »Ø¸´  
ÎåÐÇºÃÆÀ  
ifmc12348Â¥
2012-10-22 11:47   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2012-10-22 12:34   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
muyang11Â¥
2012-10-22 13:54   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
yuzhenkun12Â¥
2012-10-22 14:10   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
stony10313Â¥
2012-10-22 15:26   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
bruce_tian14Â¥
2012-10-22 15:35   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ZDBWHZ15Â¥
2012-10-23 09:04   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
chemphys16Â¥
2012-10-23 11:19   »Ø¸´  
ÈýÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2012-10-23 17:00   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
suremine18Â¥
2012-10-23 19:16   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
chiweijie19Â¥
2012-10-23 19:30   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2012-10-23 20:22   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
superfan22Â¥
2012-10-24 08:18   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zhoulili23Â¥
2012-10-24 21:48   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ypghnust6124Â¥
2012-10-29 20:57   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
captain_20325Â¥
2012-11-03 23:18   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
aqex700226Â¥
2012-11-08 13:41   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
kulaomega27Â¥
2012-11-08 17:23   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zhaoyichem28Â¥
2012-11-12 15:49   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ypghnust6130Â¥
2012-12-30 21:13   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
goldstar57034Â¥
2013-06-10 16:52   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-06-11 16:20   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
lishijunzong36Â¥
2013-06-11 16:47   »Ø¸´  
ÎåÐÇºÃÆÀ  
gj1988020337Â¥
2013-06-13 13:47   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-06-27 21:43   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
jyki39Â¥
2013-07-24 13:07   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
jyki40Â¥
2013-07-24 13:11   »Ø¸´  
2013-07-31 20:56   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-08-01 09:25   »Ø¸´  
ÈýÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-11-01 19:23   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wxcid44Â¥
2014-04-07 18:01   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ypghnust6145Â¥
2014-04-07 18:24   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wangwenju46Â¥
2014-04-08 11:34   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zhuhuaxue47Â¥
2014-05-13 14:57   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wangwenju48Â¥
2014-05-14 18:19   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2014-05-21 21:00   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
3ÕÛÆð50Â¥
2014-05-22 15:55   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ fwang2011 µÄÖ÷Ìâ¸üÐÂ
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶274Ò»Ö¾Ô¸211Çóµ÷¼Á +6 Ñ¦ÔÆÅô 2026-03-15 6/300 2026-03-17 11:05 by ѧԱh26Tkc
[¿¼ÑÐ] 302Çóµ÷¼Á +4 С¼Öͬѧ123 2026-03-15 8/400 2026-03-17 10:33 by С¼Öͬѧ123
[¿¼ÑÐ] 268Çóµ÷¼Á +5 ºÃÔËÁ¬Ã಻¾ø 2026-03-12 5/250 2026-03-17 10:12 by Sammy2
[¿¼ÑÐ] [¸´ÊÔµ÷¼Á]Î÷ÄϿƼ¼´óѧ¹ú·À/²ÄÁϵ¼Ê¦ÍƼö +3 ¼â½ÇСºÉ 2026-03-16 6/300 2026-03-16 23:21 by ¼â½ÇСºÉ
[¿¼ÑÐ] ¶«ÄÏ´óѧ364Çóµ÷¼Á +5 JasonYuiui 2026-03-15 5/250 2026-03-16 21:28 by ľ¹Ï¸à
[¿¼ÑÐ] 286Çóµ÷¼Á +3 lemonzzn 2026-03-16 5/250 2026-03-16 20:43 by lemonzzn
[¿¼ÑÐ] 0854¿ØÖƹ¤³Ì 359Çóµ÷¼Á ¿É¿çרҵ +3 626776879 2026-03-14 9/450 2026-03-16 17:42 by 626776879
[¿¼ÑÐ] 304Çóµ÷¼Á +4 ahbd 2026-03-14 4/200 2026-03-16 16:48 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] 283Çóµ÷¼Á +10 С¥¡£ 2026-03-12 14/700 2026-03-16 16:08 by 13811244083
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 344Çóµ÷¼Á +3 knight344 2026-03-16 3/150 2026-03-16 09:42 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 297Ò»Ö¾Ô¸ÉϽ»085600Çóµ÷¼Á +5 Ö¸¼â°ËǧÀï 2026-03-14 5/250 2026-03-14 17:26 by a²»Ò×
[¿¼ÑÐ] ¡¾0703»¯Ñ§µ÷¼Á¡¿-Ò»Ö¾Ô¸»ªÖÐʦ·¶´óѧ-Áù¼¶475 +5 Becho359 2026-03-11 5/250 2026-03-14 11:35 by ŶŶ123
[¿¼ÑÐ] ѧ˶285Çóµ÷¼Á +13 Wisjxn 2026-03-12 46/2300 2026-03-14 10:33 by JourneyLucky
[¿¼ÑÐ] 279Çóµ÷¼Á +3 Dizzy123@ 2026-03-10 3/150 2026-03-13 23:02 by JourneyLucky
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤Çóµ÷¼ÁÒ»Ö¾Ô¸ 985 ×Ü·Ö 295 +8 dream¡­¡­ 2026-03-12 8/400 2026-03-13 22:17 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 0703»¯Ñ§Ò»Ö¾Ô¸211 ×Ü·Ö320Çóµ÷¼Á +5 Â꿨°Í¿¨°¡¹þ 2026-03-11 5/250 2026-03-13 21:40 by JourneyLucky
[¿¼ÑÐ] 314Çóµ÷¼Á +7 ÎÞи¿É»÷µÄ¾ÞÈË 2026-03-12 7/350 2026-03-13 15:40 by JourneyLucky
[¿¼ÑÐ] 298Çóµ÷¼Á +3 Vvѽ£¡ 2026-03-10 3/150 2026-03-10 22:40 by ½£Ê«¶Å¿µ
[¿¼²©] 26É격ÇóÖú +3 ÌøÔ¾±ý¸É 2026-03-10 4/200 2026-03-10 21:15 by Tntcnn
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û