| 查看: 1521 | 回复: 35 | |||
| 【有奖交流】积极回复本帖子，参与交流，就有机会分得作者 余东海 的 82 个金币 ，回帖就立即获得 1 个金币，每人有 1 次机会 | |||
[交流]
International Symposium on Chemical Concepts from Theory and Computation
|
|||
|
Name：International Symposium on Chemical Concepts from Theory and Computation Time：2018年12月8-11日 Address：Fenglin Hotel （枫林宾馆）,43 Fenglin 1st Rd, Yuelu District, Changsha, Hunan, P.R. China Host Institute：Hunan Normal University （湖南师范大学） Co-Host Institute： Hunan University （湖南大学） Liaoning Normal University（辽宁师范大学） Key Laboratory of Study and Discovery of Small Targeted Molecules of Hunan Province 小分子靶向药物研究与创制湖南省重点实验室） Acta Physico-Chimica Sinica《物理化学学报》 Wuhan University（武汉大学） About the Conference： Density functional theory (DFT) has been well accepted as the most successful development in theoretical and computational chemistry in last few decades. Nevertheless, for most people, it is only a computational approach. It lacks well behind in offering chemical understanding and conceptualization. A similar situation occurred many years ago in the development of the molecular orbital theory, whose computational methodology matured well ahead of its chemical conceptualization and understanding such as the frontier orbital theory and Woodward– Hoffmann rules. Using electron density or its associated quantities to appreciate the molecular structure, bonding, and reactivity can be witnessed by Bader’s atoms-in-molecules theory. It is, however, Robert G. Parr of University of North Carolina, USA, who pioneered this field with the establishment of the theoretical framework called Conceptual DFT. Formulizations of chemical concepts such as electronegativity, hardness, softness, Fukui function, electrophilicity, dual descriptor, etc. are a few well-known examples of chemical concepts from DFT. More recent developments have also been available along this and other directions in the literature. To promote these efforts in a more broadly-defined sense and to remember Professor Robert G. Parr, who passed away last year, this international symposium is organized in his honor. We invited over 40 national and international experts to talk about the current status of their research and look forward to a number of possible future directions on this subject. Shubin Liu, Ph.D. CCTC2018 Organizer University of North Carolina at Chapel Hill, USA Hunan Normal University, P.R. China |
回复此楼» 本帖附件资源列表
-
欢迎监督和反馈：小木虫仅提供交流平台，不对该内容负责。
本内容由用户自主发布，如果其内容涉及到知识产权问题，其责任在于用户本人，如对版权有异议，请联系邮箱：xiaomuchong@tal.com - 附件 1 : The_2nd-Round_Announcement_CCTC2018.pdf
2018-11-18 21:17:59, 2.45 M
» 本帖已获得的红花（最新10朵）
18879316080» 猜你喜欢
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有4人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有4人回复
-
售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急
已经有4人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.54,科目齐全,可+急
已经有4人回复
-
售SCI-T0P文章，我:8O.5.5.1.O.54,科目齐全,可+急
已经有3人回复
-
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有3人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有3人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有4人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有3人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有3人回复
» 本主题相关商家推荐: (我也要在这里推广)
4楼2018-11-18 21:38:49
3楼2018-11-18 21:33:57
11楼2018-11-19 09:08:30
13楼2018-11-19 10:34:18
14楼2018-11-19 14:04:30
15楼2018-11-19 16:39:40
16楼2018-11-19 18:12:38
24楼2018-11-24 12:06:18
25楼2018-11-24 12:06:36
27楼2018-11-27 17:07:07
简单回复
yanbodr2楼
2018-11-18 21:27
回复
余东海(金币+1): 谢谢参与
。 发自小木虫Android客户端
nono20095楼
2018-11-18 22:10
回复
余东海(金币+1): 谢谢参与
·
dsctg6楼
2018-11-18 23:30
回复
余东海(金币+1): 谢谢参与
… 发自小木虫Android客户端
iamluo7楼
2018-11-19 07:45
回复
2018-11-19 08:19
回复
2018-11-19 08:20
回复
1887931608010楼
2018-11-19 08:21
回复
C1041401612楼
2018-11-19 09:45
回复
余东海(金币+1): 谢谢参与
顶 发自小木虫IOS客户端
tzynew17楼
2018-11-19 19:30
回复
余东海(金币+1): 谢谢参与
Biotage18楼
2018-11-19 22:24
回复
余东海(金币+1): 谢谢参与
sz_kebaoyuan19楼
2018-11-19 22:39
回复
余东海(金币+1): 谢谢参与
1887931608020楼
2018-11-23 09:12
回复
1887931608021楼
2018-11-23 09:12
回复
小几闹-22楼
2018-11-23 10:21
回复
tzynew23楼
2018-11-23 11:28
回复
1887931608026楼
2018-11-25 09:40
回复
aaa66666628楼
2018-11-28 11:14
回复
tang1529楼
2018-11-28 11:25
回复
tzynew30楼
2018-11-28 13:17
回复
happyenna31楼
2018-11-28 15:08
回复
余东海(金币+1): 谢谢参与
acnes32楼
2018-11-28 18:40
回复
C1041401633楼
2018-11-29 11:24
回复
亓官大壮34楼
2018-12-02 20:44
回复
余东海(金币+1): 谢谢参与
DFT 发自小木虫Android客户端
liuliweijj35楼
2018-12-03 22:04
回复
96021336楼
2019-05-10 06:35
回复
