Faccts Gmbh

学者数12

论文数5

被引数1

关联论文 (4)

发表时间

Local Energy Decomposition of Intramolecular Interactions: The CovaLED Approach and Its Application to Molecular Recognition in Biomolecular Assemblies 分子内相互作用的局部能量分解：CovaLED方法及其在生物分子组装体中分子识别的应用

ACS Central Science

IF10.4

2026-05-27

OAAI

Martina Colucci; Christoph Riplinger; Ahmet Altun; Frank Neese; Giovanni Bistoni

ORCA Meets Python─The ORCA Python Interface OPI ORCA 逢 Python─ORCA Python 接口 OPI

Journal of Chemical Theory and Computation

IF5.5

2026-03-26

OAAI

Tim Tetenberg; Hagen Neugebauer; Christoph Plett; Nakul Santhosh; Markus Bursch; Christoph Riplinger

A comprehensive approach to incorporating intermolecular dispersion into the openCOSMO-RS model. Part 2: Atomic polarizabilities 将分子间色散力整合到openCOSMO-RS模型中的综合方法。第二部分：原子极化率

Chemical Engineering Science

IF4.3

2025-07-09

OAAI

Daria Grigorash; Simon Müller; Esther Heid; Frank Neese; Dimitrios G. Liakos; Christoph Riplinger; Miquel Garcia-Ratés; Patrice Paricaud; Erling H. Stenby; Irina Smirnova; Wei Yan

Analytical First Derivatives of the SCF Energy for the Conductor-Like Polarizable Continuum Model With Non-Static Radii 导体类可极化连续介质模型中具有非静态半径的SCF能量的一阶解析导数

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2025-04-24

OAAI

Wittmann, Lukas; Garcia-Rates, Miquel; Riplinger, Christoph