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机译:1,3,5-三氨基-2,4,6-三苯甲基苯(TATB)的振动和热力学性质:密度泛函理论中交换相关函数的比较
Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics and Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089-0242, USA ,School of Earth and Space Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China;
Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics and Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089-0242, USA;
Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics and Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089-0242, USA;
Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics and Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089-0242, USA;
Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics and Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089-0242, USA;
TATB; Vibrational and thermodynamic properties; DFT Simulations;
机译:利用分散校正密度泛函理论研究1,3,5-三氨基-2,4,6-三硝基苯的压力依赖性热力学和弹性性质
机译:色散校正密度泛函理论研究不敏感炸药1,3,5-三氨基-2,4,6-三硝基苯的压缩行为和光谱性质
机译:从头算和密度泛函理论方法研究1,3,5-三氨基-2,4,6-三硝基苯的超极化性
机译:1,3,5-三氨基-2,4,6-三硝基苯(TATB)的多功能合成
机译:密度函数理论与机器学习高熵合金的振动和缺陷性能
机译:三种3-苯基噻吩衍生物的振动光谱核磁共振参数和电子性质的密度泛函理论
机译:振动模式和声子和常用酸多晶型物的热力学性质,(BOH)3O3在密度函数理论框架内