From molecules to solids with the DMol3 approach

By Bernard Delley. 2000

9,678 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/b2d4b4465269e7c650430f18b240c6c228dbb3a4

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Kristian Sommer Thygesen
2. Hao Cui
3. Xiaoxing Zhang
4. Tun Liu
5. Ying Zhang
6. Zhongfang Chen
7. Z. Ao
8. Struan H. Robertson

In Materials Chemistry

1. Xiaoguang Duan
2. Shaobin Wang
3. Hongqi Sun
4. Hao Cui
5. Xiaoxing Zhang
6. Zhongfang Chen
7. Jens K. Nørskov
8. Struan H. Robertson

In Organic Chemistry

1. Xiaoguang Duan
2. Hongqi Sun
3. Shaobin Wang
4. Hao Cui
5. Zhongfang Chen
6. Xiaoxing Zhang
7. Z. Ao
8. Struan H. Robertson

Citations in the corpus

• Surface-tailored nanodiamonds as excellent metal-free catalysts for organic oxidation (2016, methodology): “The spin unrestricted DFT calculations were carried out by using the Dmol3 package [28].”