r*****h
发帖数: 61 | 1 On the Performance of Continuum Solvation Methods. A
Comment on “Universal Approaches to Solvation Modeling”, Acc. Chem. Res.,
2009, 42 (4) 480-492, Klamt坐不住了。
Reply to Comment on “A Universal Approach to Solvation Modeling”,Acc. Chem
. Res., 2009, 42 (4), 493-497 Truhlar同学回帖。 |
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l**a
发帖数: 5175 | 2 the only problem is, I do not see moral values in modern 佛教 teaching.
I see karma law, and compassion, I don't understand what compassion they
mean?
you lead people to solvation, that is compassion.
you may lead people to solvation(the forever solution)
now for moral values.moral values are replaced by LOVE.
if you accept LOVE, you are modern 佛教 now.
modern yogi usually like to talk about LOVE.
as well as modern Monks. God can love, that is OK.
but some yogi think he can LOVE, who needs your hu... 阅读全帖 |
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y*****o
发帖数: 2364 | 3 April 3, 2016
USCIS
Attn: I-140
2501 S. State Highway 121 Business
Suite 400
Lewisville, TX 75067
RE: EB-1 Petition for Permanent Residency under the category of Alien of
Extraordinary Ability
Petitioner/Beneficiary: XXX YANG, Ph.D.
Classification Sought: 203(b)(1)(A)
Type of Petition: I-140
Dear Immigration Officer:
This letter is respectfully submitted in support of Dr. XXX Yang’s petition
for classification as a qualified immigrant under the first p... 阅读全帖 |
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w**********1
发帖数: 154 | 4 中科院院士段振豪包养二奶，小三，小四，养私生女（有图有真相）
来源： 陈文的日志
先介绍一下人物背景，这么多头衔，多么有名气的一个人：
姓名： 段振豪 性别： 男
职称： 研究员 学历： 博士
电话： 010-82998377 传真： 010-62010846
Email： d*********[email protected] 邮编： 100029
地址： 北京朝阳区北土城西路19号，中科院地质与地球物理研究所
更多信息：
【English】 地球深部结构与过程研究室 The_Duan_Group
简历：
段振豪
学历和工作经历：
1982年，学士，中国地质大学(武汉) ，地球化学专业;
1985年，硕士，中国地质科学院，地球化学专业;
1988年，博士，中国地质大学(北京) ，地球化学专业;
1988-1991年，博士后，美国加州大学，物理化学专业;
1992-1995年，助理教授，美国加州大学(圣地亚哥) ，地球化学专业;
1995-1999年，副教授，美国加州大学(圣地亚哥) ，地球化学专业;
1999-2004，教授级研究员，美国加州大学(圣地亚哥) ，地球化学专业;
2002-... 阅读全帖 |
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l**********1
发帖数: 5204 | 5 人家各做一个residue 3D
Molecular Modeling 的话 还是可能的
//www.ncbi.nlm.nih.gov/pubmed/22448988
Crystal structures of Bcl-xL with 118 (PDB entry 2YXJ) and 4 were used to
model the binding poses of our designed compounds with Bcl-xL. In the
binding models, the structure of Bcl-xL in complex with 4 was superimposed
on that of Bcl-xL in complex with 1. The core scaffold of 4 then replaced
the 4′-chloro-2-methyl-1,1′-biphenyl group of 1 to generate the initial
binding model, which was then refined by a 1 ns mo... 阅读全帖 |
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r*****h
发帖数: 61 | 6 很正常。Truhlar同志可是在这种狂风大浪中成长起来的。
两个月左右前，他跟意大利开发COSMO溶剂化模型的人也吵了一架。
起因一样。他宣称自己的SM8(solvation model，表想歪-_-b)模型
比COSMO好，怎样怎样；COSMO的人立刻坐不住了，回了一篇。
这几篇文章在JCTC里。
Adopt |
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s*******h
发帖数: 3731 | 8 老娘踢你个鸡飞蛋打。。。居然又在这里寒碜超工。。。。
俺硕士还是肄业，怎么懂得如此高深的东东。。。
不过放了半天狗，查了半天金镐头数据库。。。
超工发现：
这个体系不能用DMAc啊。。。
1. DMAc稳定phenolate啊。。solvation shell大啊。。反应就慢啊。。。
2. DMAc稳定反应中间体啊。。不容易进行消去Cl或者phenolate
3. phenolate也是好的离去集团啊。。
当年俺用一个malonate的酚酯的底物，加碱马上消去形成ketene了。。
综上所述啊，不反应不奇怪啊。。。 |
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F***d
发帖数: 63 | 9 'Inclusion of explicit solvent molecules in a self-consistent-reaction field
model of solvation' in ACS symposium series, 1994, vol 569, pg 22-35.
急用，多谢。 |
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h**********3
发帖数: 427 | 10 帮忙查一下国内的一篇文章吧，谢谢了：
请发送到h**********[email protected]
Ab initio calculations of vibrational frequencies and structures of ion
pairs of perchlorate. Xuan, Xiao-peng; Xie, You-hai; Zhao, Yang.
School of Chemical and Environmental Sciences, Henan Normal University,
Xinxiang, Peop. Rep. China. Guangpuxue Yu Guangpu Fenxi (2010), 30(9),
2537-2540. Publisher: Beijing Daxue Chubanshe, CODEN: GYGFED ISSN: 1000
-0593. Journal written in Chinese. CAN 153:369826 AN 2010:1137884 ... 阅读全帖 |
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B******i
发帖数: 213 | 11 physical chemistry, like solvation, solvent solute interaction...
1st come, 1st serve |
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r*****d
发帖数: 727 | 12 I want to cut an Al cluster from an optimized Al(111) slab and put it into
solution to check the solvation effect. The Al(111) cluster I want consist
of 3 unit cells (3x3). But now I have a question. My boss asked me to
passivate all the boundary Al atoms using hydrogen except for the first
layer. But due to the close packing of Al, one Al will have 12 nearest
neighbors in the periodic model. Does this mean I need to put enough H to Al
until this Al has 12 neighbors? |
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d********y
发帖数: 176 | 13 http://onlinelibrary.wiley.com/doi/10.1002/masy.19900320118/pdf
On the nature of active species in cationic ring-opening polymerization of
cyclodimethylsiloxanes
Authors
Pierre Sigwalt,
Vivian Stannett
First published: February 1990Full publication history
DOI: 10.1002/masy.19900320118View/save citation
Cited by: 5 articlesCitation tools
Abstract
Contrarily to cationic ring-opening polymerization of cyclic ethers and of
some other cyclic monomers, for which direct identification of the various
t... 阅读全帖 |
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a*****c
发帖数: 3525 | 14 需要注意的是离子的溶剂化问题（solvation）.离子在容易溶剂化的溶剂里面形成离子
－溶剂complex，kinetically decreases the rate of the reaction.
To
factors.
too
If
good
catalyst?)
PDI.
the |
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h*****y
发帖数: 366 | 15 我想问下回旋半径,radius of gyration是指的是什么.
我在wiki上面查了下,In polymer physics, the radius of gyration is used to
describe the dimensions of a polymer chain.
然后有一个公式,其中有个Rk,还有个Rmean.我想象不出它们具体指得是什么.
我看的一本书上说,polymers are most extensively solvated in solvents of the
same delta value,resulting in stiffer chains with greater radii of gyration.
究竟是怎么一回事呢?
溶剂化以后为什么会变硬,直?回旋半径为何会变大?
我不是学高分子得,但是修得一门课涉及到了这个概念.很让我苦恼.
谢谢解答.小女子将不胜感激. |
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e*********s
发帖数: 1440 | 16 The polymer must be thermally stable up to 200 degree celsius without any
degradation issues to worry about. Also, low Tg polymer is preferred but
this is not a big deal if the polymer is well solvated by the ionic liquid.
I need the molecular weight in the range of 30k to 80k.
Thanks. |
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x********i
发帖数: 905 | 17 http://iccm.mcm.ac.cn/dct/page/1
Invited Lectures
Group 1
Fan Qin: Cluster algebras and monoidal categorification
Fang Li: Positivity of acyclic sign-skew-symmetric cluster algebras via
unfolding method and some related topics
Cheng-Chiang Tsai: An attempt for affine Springer theory
Li Cai: The Gross-Zagier formula: arithmetic applications
Ming-Hsuan Kang: Geometric zeta functions on reductive groups over non-
archimedean local fields
Huanchen Bao: Canonical bases arising... 阅读全帖 |
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a****e
发帖数: 296 | 18 是啊，金属的话好理解，能带理论...
但是如果是油这样的有机物，共价键....
真的是加上了一个电子 还是上了一个带电基团？我不是很想得通...
这个问题其实很fundamental, 前些年science有篇文章 研究electron solvated by
water
molecules, half life 只有几十 fs.... |
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