欢迎您！东篱公司
退出
-
申报数据库
-
立项数据库
-
成果数据库
-
项目获奖数据库
同期刊论文项目
同项目期刊论文
Analytical approach for the excited-state Hessian in time-dependent density functional theory: Forma
Theoretical study on the mechanism of H-2 activation mediated by two transition metal thiolate compl
Low-Lying Structures and Stabilities of Large Water Clusters: Investigation Based on the Combination
A coupled cluster approach with a hybrid treatment of connected triple excitations for bond-breaking
Structures of Neutral and Protonated Water Clusters Confined in Predesigned Hosts: A Quantum Mechani
The coupled cluster approach with a hybrid treatment of connected triple excitations based on the re
An Efficient Implementation of the Generalized Energy-Based Fragmentation Approach for General Large
A coupled cluster approach with a hybrid treatment of connected triple excitations: Implementation a
Theoretical studies on electronic spectroscopy and dynamics with the real-time time-dependent densit
Mechanistic Insight on the Hydrogenation of Conjugated Alkenes with H-2 Catalyzed by Early Main-Grou
Coupled cluster with singles, doubles, and partial higher-order excitations based on the correspondi
New coupled cluster approaches based on the unrestricted Hartree-Fock reference for treating molecul
Understanding the role of the bifunctional titanium catalyst in cyanosilylation of ketones: A comput
H-2 Activation by a (PNP)Ir(C6H5) Complex via the Dearomatization/Aromatization Process of the PNP L
Understanding the Role of Intra- and Intermolecular Interactions in the Formation of Single- and Dou
Block correlated coupled cluster method with the complete active-space self-consistent-field referen
位置：