Conformation searches for carboxylic acids
收藏DataCite Commons2025-06-10 更新2025-04-16 收录
下载链接：
https://data.hpc.imperial.ac.uk/resolve/?doi=2462
下载链接
链接失效反馈官方服务：
资源简介：
Conquest query
应用场景：
创建时间：
2017-04-11
相关数据集
Efficient Amino Acid Conformer Search with Bayesian Optimization
Finding low-energy molecular conformers is challenging due to the high dimensionality of the search space and the computational cost of accurate quantum chemical methods for determining conformer stru
Figshare2021-03-09 更新10
Assessing the Conformational Equilibrium of Carboxylic Acid via Quantum Mechanical and Molecular Dynamics Studies on Acetic Acid
Accurate hydrogen placement in molecular modeling is crucial for studying the interactions and dynamics of biomolecular systems. The carboxyl functional group is a prototypical example of a functional
NIAID Data Ecosystem30
Carboxylic Acids Market
Report of Carboxylic Acids Market is currently supplying a comprehensive analysis of many things which are liable for economy growth and factors which could play an important part in the increase of t
IMR REPORTS20
Efficient Amino Acid Conformer Search with Bayesian Optimization
Finding low-energy molecular conformers is challenging due to the high dimensionality of the search space and the computational cost of accurate quantum chemical methods for determining conformer stru
NIAID Data Ecosystem20
Assessing the Conformational Equilibrium of Carboxylic Acid via Quantum Mechanical and Molecular Dynamics Studies on Acetic Acid
Accurate hydrogen placement in molecular modeling is crucial for studying the interactions and dynamics of biomolecular systems. The carboxyl functional group is a prototypical example of a functional
Figshare2019-02-21 更新00
