Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 9515  |  »Ø¸´: 261
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û233´Î£¬×÷ÕßkexueshiÔö¼Ó½ð±Ò 183.4 ¸ö

kexueshi

ľ³æ (ÕýʽдÊÖ)


[×ÊÔ´] ¡¾·ÖÏí¡¿£ºÍâ¹úÈ˽ÌÄãÔõÑù·ÖÎöNBOÊä³öÎļþ ¡¾ÒÑËÑË÷ÎÞÖØ¸´¡¿

¸ÃÎÄÏ×ÊÇlihb734 ¸ø³öµÄÍøÖ·£¬ÎÒÏÂÔØµÄ¡£Îҽ軨Ï×·ð°ÉÕâÊǸöºÃ¶«Î÷°¡£¬ÉÏ´«À´ºÍ´ó¼Ò·ÖÏí£¬Ò²ÊÇÏ£ÍûÓиßÈËÄܰÑËü·­Òë¹ýÀ´£¬
Natural bond orbital methods
Eric D. Glendening1, Clark R. Landis2,*, Frank Weinhold2
20 JUN 2011
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

ÖÆÒ©¹¤³Ì Gaussian ¼ÆËã Á¿×Ó»¯Ñ§+ʵÑéÑо¿
initio gauss ×ÊÁÏ ÎÒµÄÊÕ²Ø
Á¿×Ó»¯Ñ§»ù´¡ÎÊÌâ

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

ÄäÃû


±¾Ìû½öÂ¥Ö÷¿É¼û
7Â¥2011-11-15 09:02:56
ÒÑÔÄ   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

chenxj8379

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

лл¥Ö÷·ÖÏí
28Â¥2011-11-16 08:32:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ºì·ç³µ

Òø³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡ÓÐËùÐ裬ÓÐËù¹©¡£
31Â¥2011-11-16 11:18:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gebitingqin

Ìú³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Ïȶ¥Ò»Ï£¬¸Ðл·ÖÏí£¡ÉÔºóÔÙѧϰ
38Â¥2011-11-16 20:01:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Zhang_David

½ð³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Õâ¸ö£¬Ï൱¸øÁ¦ÁË£¡Ð»Ð»°¡£¡
41Â¥2011-11-17 10:11:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
Quan.2Â¥
2011-11-15 04:08   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
tutuyatou3Â¥
2011-11-15 08:14   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
czyzsu4Â¥
2011-11-15 08:35   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
quantumor5Â¥
2011-11-15 08:44   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
0431140766Â¥
2011-11-15 08:48   »Ø¸´  
ÈýÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xiaozufeng8Â¥
2011-11-15 09:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
×ϵç9Â¥
2011-11-15 09:35   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2011-11-15 10:08   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
debai11Â¥
2011-11-15 10:13   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
gazelle021412Â¥
2011-11-15 10:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2011-11-15 11:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
aidonkey14Â¥
2011-11-15 12:46   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ly95815Â¥
2011-11-15 13:39   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
scottfreedom16Â¥
2011-11-15 13:46   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xiaopengs17Â¥
2011-11-15 13:47   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
maomao697218Â¥
2011-11-15 14:00   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
nilanle19Â¥
2011-11-15 15:56   »Ø¸´  
ÎåÐÇºÃÆÀ  ¸Ðл·ÖÏí£¡
kesh_song20Â¥
2011-11-15 16:07   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
chshengyao21Â¥
2011-11-15 22:27   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
chenfuzi22Â¥
2011-11-15 23:00   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
nwwolfchj23Â¥
2011-11-15 23:07   »Ø¸´  
ÎåÐÇºÃÆÀ  ¸Ðл·ÖÏí£¡
chiweijie24Â¥
2011-11-15 23:16   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
molvib25Â¥
2011-11-16 00:04   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2011-11-16 03:33   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
drasgum27Â¥
2011-11-16 08:29   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
dicpwbx29Â¥
2011-11-16 09:42   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
lolakers30Â¥
2011-11-16 11:02   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
jujiao20106032Â¥
2011-11-16 11:25   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
cs12329233Â¥
2011-11-16 11:36   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
pl85034Â¥
2011-11-16 14:58   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
senen35Â¥
2011-11-16 16:55   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wqltting36Â¥
2011-11-16 18:38   »Ø¸´  
ÎåÐÇºÃÆÀ  ¸Ðл·ÖÏí
nannan070737Â¥
2011-11-16 19:10   »Ø¸´  
ÎåÐÇºÃÆÀ  
aidonkey39Â¥
2011-11-16 20:02   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
gengle40Â¥
2011-11-16 23:25   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
physics777842Â¥
2011-11-17 20:06   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xyj88050643Â¥
2011-11-19 09:57   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hxliu_201044Â¥
2011-11-20 21:25   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
´ÔɯÁú45Â¥
2011-11-21 09:05   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
john9014746Â¥
2011-11-21 10:35   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
fresh66047Â¥
2011-11-22 17:12   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wyhzj198748Â¥
2011-11-22 18:24   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ΰÃ÷49Â¥
2011-11-23 20:15   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
csgcmj50Â¥
2011-11-24 08:46   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ kexueshi 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] 274Çóµ÷¼Á +10 ɽ°¢Âû 2026-04-07 10/500 2026-04-14 13:32 by rndfc
[¿¼ÑÐ] ±¾¿Æ211£¬±¨¿¼085601-310·Ö +14 ararak 2026-04-13 14/700 2026-04-14 12:44 by fqwang
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£©½ÓÊÜ¿çרҵ +10 ÏàÐűػá¹ââÍòÕ 2026-04-13 10/500 2026-04-14 09:28 by ´ø¿ÇµÄ¼¦µ°
[¿¼ÑÐ] 279ѧ˶ʳƷרҵÇóµ÷¼ÁԺУ 20+6 ¹Â¶ÀµÄÀǰ®³ÔÑò 2026-04-12 26/1300 2026-04-14 09:04 by zs92450
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] µ÷¼Á +11 ÔÂ@163.com 2026-04-11 11/550 2026-04-13 22:52 by pies112
[¿¼ÑÐ] 0854µ÷¼Á +10 ³¤¹­°Á 2026-04-12 13/650 2026-04-13 17:32 by ³¤¹­°Á
[¿¼ÑÐ] 0831Ò»ÂÖµ÷¼Áʧ°ÜÇóÖú +10 СÐÜî£î£_s 2026-04-11 10/500 2026-04-12 22:43 by ³¤¹­°Á
[¿¼ÑÐ] 085410 273Çóµ÷¼Á +10 X1999 2026-04-09 10/500 2026-04-12 09:24 by ÄæË®³Ë·ç
[ÕÒ¹¤×÷] ɽ¶«¸ßУ½Ìʦ¿¼ºË³¬¼¶ÎÞµ×Ïߣ¬Ô±¹¤¹ý²»ÏÂÈ¥À² +4 qut2026 2026-04-09 9/450 2026-04-12 00:54 by qut2026
[¿¼ÑÐ] 284Çóµ÷¼Á +11 archer.. 2026-04-09 12/600 2026-04-11 20:23 by À¶ÔÆË¼Óê
[¿¼ÑÐ] µ÷¼Á +5 ÎĵÀÐÇ̨ 2026-04-11 5/250 2026-04-11 15:01 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] 085500Çóµ÷¼Á²ÄÁÏ +10 Ò×11122 2026-04-09 10/500 2026-04-11 10:39 by maddjdld
[¿¼ÑÐ] 297Çóµ÷¼Á +9 Kwgyz 2026-04-09 9/450 2026-04-11 10:09 by zhq0425
[¿¼ÑÐ] 22408 327·ÖÇóµ÷¼Á +4 ÔÏ·çkon 2026-04-10 4/200 2026-04-11 09:51 by Öí»á·É
[¿¼ÑÐ] 263ÄÜÔ´¶¯Á¦×¨Ë¶Çóµ÷¼Á +4 ¼Ó´óºÅ·¹ºÐ´ü 2026-04-10 4/200 2026-04-10 20:52 by gong120082
[¿¼ÑÐ] ÖпÆÔº×Ü·Ö315Çóµ÷¼Á +8 lallalh 2026-04-09 8/400 2026-04-10 19:30 by dick_runner
[¿¼ÑÐ] Çóµ÷¼Á ²ÄÁÏÓ빤³Ì 324·Ö ר˶ +19 ôæôæÒ»ÊéÉú 2026-04-10 21/1050 2026-04-10 11:41 by wp06
[¿¼ÑÐ] 337Çóµ÷¼Á +4 Gky09300550£¬ 2026-04-09 4/200 2026-04-09 17:18 by ÅÁ¶ûÂíÀ­ÌØ
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +11 masss11222 2026-04-07 14/700 2026-04-08 11:06 by yulian1987
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û