Eike Caldeweyher - Publications, H-index & Citations

Eike Caldeweyher

AstraZeneca

15H指数

36论文数

5.9K被引数

收录论文 8

发表时间

Hybrid Machine Learning Approach to Predict the Site Selectivity of Iridium-Catalyzed Arene Borylation

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2023-07-31

PREAI

Caldeweyher, Eike; Elkin, Masha; Gheibi, Golsa; Johansson, Magnus; Sko''ld, Christian; Norrby, Per-Ola; Hartwig, John F.

Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules

SCIENTIFIC REPORTS

IF3.9

2023-03-13

OAAI

Ghiandoni, Gian Marco; Caldeweyher, Eike

Extendedtight-bindingquantum chemistry methods 扩展的紧密结合量子化学方法

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2020-08-09

959

OAAI

Bannwarth, Christoph; Caldeweyher, Eike; Ehlert, Sebastian; Hansen, Andreas; Pracht, Philipp; Seibert, Jakob; Spicher, Sebastian; Grimme, Stefan

A generally applicable atomic-charge dependent London dispersion correction 一种普遍适用的原子电荷相关伦敦色散校正

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-04-19

1.0K

OAAI

Caldeweyher, Eike; Ehlert, Sebastian; Hansen, Andreas; Neugebauer, Hagen; Spicher, Sebastian; Bannwarth, Christoph; Grimme, Stefan

Understanding and Quantifying London Dispersion Effects in Organometallic Complexes

ACCOUNTS OF CHEMICAL RESEARCH

IF17.7

2018-12-26

124

PREAI

Bursch, Markus; Caldeweyher, Eike; Hansen, Andreas; Neugebauer, Hagen; Ehlert, Sebastian; Grimme, Stefan

Extension of the D3 dispersion coefficient model D3离散系数模型的推广

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-07-21

860

PREAI

Caldeweyher, Eike; Bannwarth, Christoph; Grimme, Stefan

A general intermolecular force field based on tight-binding quantum chemical calculations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-07-11

PREAI

Grimme, Stefan; Bannwarth, Christoph; Caldeweyher, Eike; Pisarek, Jana; Hansen, Andreas

London Dispersion Enables the Shortest Intermolecular Hydrocarbon H•••H Contact

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2017-05-23

116

PREAI

Roesel, Soeren; Quanz, Henrik; Logemann, Christian; Becker, Jonathan; Mossou, Estelle; Canadillas-Delgado, Laura; Caldeweyher, Eike; Grimme, Stefan; Schreiner, Peter R.

研究方向