| 查看: 886 | 回复: 9 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
武大木虫 (著名写手)
|
[交流]
【原创】JPCB上院士愤怒了
|
||
|
On Unjustifiably Misrepresenting the EVB Approach While Simultaneously Adopt ing It J. Phys. Chem. B, 2009, 113 (31), pp 10905–10915 http://pubs.acs.org/doi/pdfplus/10.1021/jp901709f |
回复此楼» 猜你喜欢
0703本科郑州大学求调剂
已经有3人回复
-
311求调剂
已经有4人回复
-
一志愿华理，数一英一285求A区调剂
已经有11人回复
-
调剂310
已经有5人回复
-
321求调剂
已经有6人回复
-
求调剂
已经有7人回复
-
349求调剂
已经有6人回复
-
本科新能源科学与工程，一志愿华理能动285求调剂
已经有4人回复
-
材料求调剂
已经有9人回复
-
299求调剂
已经有7人回复
kovacs
至尊木虫 (职业作家)
～～——××
- 应助: 28 (小学生)
- 贵宾: 1.56
- 金币: 19686.5
- 散金: 1628
- 红花: 10
- 沙发: 1
- 帖子: 4094
- 在线: 294.6小时
- 虫号: 542201
- 注册: 2008-04-09
- 性别: GG
- 专业: 高分子材料结构与性能
5楼2009-08-26 15:56:27
xgyanger
木虫 (著名写手)
- 应助: 17 (小学生)
- 金币: 1731.8
- 散金: 1801
- 红花: 13
- 帖子: 1093
- 在线: 385.1小时
- 虫号: 591071
- 注册: 2008-09-01
- 专业: 电化学
★
小木虫(金币+0.5):给个红包，谢谢回帖交流
小木虫(金币+0.5):给个红包，谢谢回帖交流
|
ABSTRACT: In recent years, the EVB has become a widely used tool in the QM/MM modeling of reactions in condensed phases and in biological systems, with ever increasing popularity. However, despite the fact that its power and validity have been repeatedly established since 1980, a recent work (Valero, R.; et al. J. Chem. Theory Comput. 2009, 5, 1) has strongly criticized this approach, while not discussing the fact that one of the authors is effectively using it himself for both gas-phase and solution studies. Here, we have responded to the most serious unjustified assertions of that paper, covering both the more problematic aspects of that work and the more complex scientific aspects. Additionally, we have demonstrated that the poor EVB results shown in Valero et al. which where presented as verification of the unreliability of the EVB model were in fact obtained by the use of incorrect parameters, without comparing to the correct surface obtained by our program. 一篇paper引发的血案？ |
4楼2009-08-26 15:30:36
luyaozju
金虫 (小有名气)
- 应助: 4 (幼儿园)
- 金币: 1376.9
- 散金: 5
- 帖子: 276
- 在线: 55小时
- 虫号: 646501
- 注册: 2008-11-05
- 性别: GG
- 专业: 功能与智能高分子
7楼2009-08-26 16:43:48
8楼2009-08-26 17:17:49
