日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Universal Framework for Multiconfigurational DFT

多组态密度泛函理论的通用框架

Delcey, Mickael G

Magnetic Coupling in Non-Kekulé Diradical Hydrocarbons via Multiconfigurational Pair-Density Functional Theory

利用多组态对密度泛函理论研究非凯库勒双自由基烃的磁耦合

Rodrigues, Gabriel L S; Delcey, Mickael G; Solomon, Gemma C; Hedegård, Erik D; Leitherer, Susanne

Serodiagnosis of amoebic abscess: a retrospective diagnostic accuracy study of kits marketed in Europe

阿米巴脓肿的血清学诊断:一项针对欧洲市售试剂盒的回顾性诊断准确性研究

Prétot, E; Brenier-Pinchart, M-P; Tirard-Collet, P; Gabriel, F; Touafek, F; Marteau, A; Delcey, L; Amiot, C; Dupont, D; Fricker-Hidalgo, H; Sokol, H; Moreno-Sabater, A; Grenouillet, F

Variational Pair-Density Functional Theory: Dealing with Strong Correlation at the Protein Scale

变分对密度泛函理论:处理蛋白质尺度上的强相关性

Scott, Mikael; Rodrigues, Gabriel L S; Li, Xin; Delcey, Mickael G

Complete Active Space Methods for NISQ Devices: The Importance of Canonical Orbital Optimization for Accuracy and Noise Resilience

NISQ器件的完整有源空间方法:规范轨道优化对精度和抗噪性的重要性

de Gracia Triviño, Juan Angel; Delcey, Mickael G; Wendin, Göran

Complex Linear Response Functions for a Multiconfigurational Self-Consistent Field Wave Function in a High Performance Computing Environment

高性能计算环境下多构型自洽场波函数的复杂线性响应函数

Scott, Mikael; Delcey, Mickael G

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

OpenMolcas网站:一种社区驱动的计算化学发展方法

Li Manni, Giovanni; Fdez Galván, Ignacio; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J; Battaglia, Stefano; Birnoschi, Letitia; Blanco-González, Alejandro; Bokarev, Sergey I; Broer, Ria; Cacciari, Roberto; Calio, Paul B; Carlson, Rebecca K; Carvalho Couto, Rafael; Cerdán, Luis; Chibotaru, Liviu F; Chilton, Nicholas F; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuéllar-Zuquin, Juliana; Daoud, Razan E; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickaël G; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S; Feng, Rulin; Ferré, Nicolas; Filatov Gulak, Michael; Gagliardi, Laura; Garavelli, Marco; González, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R; Hermes, Matthew R; Hoyer, Chad E; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S; Khamesian, Marjan; King, Daniel S; Kochetov, Vladislav; Krośnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; López Ríos, Pablo; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C D; Montorsi, Francesco; Mörchen, Maximilian; Nenov, Artur; Nguyen, Vu Ha Anh; Nishimoto, Yoshio; Oakley, Meagan S; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Phung, Quan Manh; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuán, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sánchez-Mansilla, Aitor; Sand, Andrew M; Schapiro, Igor; Scott, Thais R; Segarra-Martí, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K; Straatsma, Tjerk P; Sørensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voß, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J Patrick; Lindh, Roland

Remotely detuned receiver coil for high-resolution interventional cardiac magnetic resonance imaging

用于高分辨率介入心脏磁共振成像的远程失谐接收线圈

Marhabaie, Sina; Delcey, Marylène; El Hamrani, Dounia; Vaillant, Fanny; Ginefri, Jean-Christophe; Ozenne, Valéry; Abell, Emma; Poirier-Quinot, Marie; Quesson, Bruno

Multiconfigurational Pair-Density Functional Theory Is More Complex than You May Think

多组态对密度泛函理论比你想象的要复杂得多

Rodrigues, Gabriel L S; Scott, Mikael; Delcey, Mickael G

Continuous cardiac thermometry via simultaneous catheter tracking and undersampled radial golden angle acquisition for radiofrequency ablation monitoring

通过同步导管追踪和欠采样径向黄金角采集进行连续心脏测温,用于射频消融监测

Yon, Maxime; Delcey, Marylène; Bour, Pierre; Grissom, William; Quesson, Bruno; Ozenne, Valéry