adf:正确引用adf
差别
这里会显示出您选择的修订版和当前版本之间的差别。
| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 | ||
| adf:正确引用adf [2022/03/11 16:21] – [一般性引用] liu.jun | adf:正确引用adf [2023/02/15 14:17] (当前版本) – [详细功能的引用] liu.jun | ||
|---|---|---|---|
| 行 1: | 行 1: | ||
| - | ====== | + | ====== |
| - | 合法的ADF用户，应根据SCM公司与用户之间签订的许可协议（用户在购买过程中，已签署该协议），正确地进行引用： | + | 合法的AMS用户，应根据SCM公司与用户之间签订的许可协议（用户在购买过程中，已签署该协议），正确地进行引用： |
| ===== 一般性引用 ===== | ===== 一般性引用 ===== | ||
| 行 32: | 行 32: | ||
| * A.C.T. van Duin, S. Dasgupta, F. Lorant, and W. A. Goddard, ReaxFF: A reactive force field for hydrocarbons, | * A.C.T. van Duin, S. Dasgupta, F. Lorant, and W. A. Goddard, ReaxFF: A reactive force field for hydrocarbons, | ||
| * Chenoweth, A.C.T. van Duin, and W.A. Goddard, ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation, Journal of Physical Chemistry A 112, 1040-1053 (2008) | * Chenoweth, A.C.T. van Duin, and W.A. Goddard, ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation, Journal of Physical Chemistry A 112, 1040-1053 (2008) | ||
| - | * ReaxFF | + | * <color blue>**ReaxFF |
| Monte-Carlo force-field optimizer | Monte-Carlo force-field optimizer | ||
| 行 38: | 行 38: | ||
| * C.C. Pye, T. Ziegler, E. van Lenthe, J.N. Louwen, An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package. Part II. COSMO for real solvents, Can. J. Chem. 87, 790 (2009) | * C.C. Pye, T. Ziegler, E. van Lenthe, J.N. Louwen, An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package. Part II. COSMO for real solvents, Can. J. Chem. 87, 790 (2009) | ||
| - | * J.N. Louwen, C.C. Pye, E. van Lenthe, E.S. McGarrity, R. Xiong, S.I. Sandler, R.I. Burnett, | + | * J.N. Louwen, C.C. Pye, E. van Lenthe, E.S. McGarrity, R. Xiong, S.I. Sandler, R.I. Burnett, |
| 如果使用了COSMO-SAC 2013还需要引用： | 如果使用了COSMO-SAC 2013还需要引用： | ||
| 行 59: | 行 59: | ||
| * E. Iype, M. Huetter, A.P.J. Jansen, S.V. Nedea, C.C.M. Rindt, Parameterization of a Reactive Force Field Using a Monte Carlo Algorithm, J. Comp. Chem. 34, 1143-1154 (2013) | * E. Iype, M. Huetter, A.P.J. Jansen, S.V. Nedea, C.C.M. Rindt, Parameterization of a Reactive Force Field Using a Monte Carlo Algorithm, J. Comp. Chem. 34, 1143-1154 (2013) | ||
| - | 每个力场也应引用该力场对应的文献。力场文件（例如ADF2016.101\atomicdata\ForceFields\ReaxFF\CHONSSiGe.ff）可以用写字板打开，第一行即为发布该力场的文献。 | + | 每个力场也应引用该力场对应的文献。力场文件（例如ADF202*.101\atomicdata\ForceFields\ReaxFF\CHONSSiGe.ff）可以用写字板打开，第一行即为发布该力场的文献。 |
adf/正确引用adf.1646986893.txt.gz · 最后更改: 2022/03/11 16:21 由 liu.jun