位置：成果数据库 > 期刊 > 期刊详情页
An improved localized molecular-orbital assembler approach for Hartree-Fock calculations of general
  • ISSN号：0009-2614
  • 期刊名称：Chemical Physics Letters
  • 时间：2012.6.6
  • 页码：186-190
  • 相关项目：计算键解离势能面的耦合簇方法
作者： Guo, Yang|Li, Wei|Li, S|
同期刊论文项目
计算键解离势能面的耦合簇方法
期刊论文 15
同项目期刊论文
The coupled cluster singles, doubles, and a hybrid treatment of connected triples based on the split
An efficient linear scaling procedure for constructing localized orbitals of large molecules based o
A coupled cluster approach with excitations up to six orbital pairs: The formulation and test applic
Understanding the Influence of Guest-Host Interactions on the Conformation of Short Peptides in a Hy
Insights into Dehydrogenative Coupling of Alcohols and Amines Catalyzed by a (PNN)-Ru(II) Hydride Co
The Generalized Energy-Based Fragmentation Approach with an Improved Fragmentation Scheme: Benchmark
Hybrid Coupled Cluster Methods Based on the Split Virtual Orbitals:Barrier Heights of Reactions and
Block correlated second order perturbation theory with a generalized valence bond reference function
Insight into the reaction between a primary amine and a cavitand with an introverted aldehyde group:
Mechanistic Insight on the Diels-Alder Reaction Catalyzed by a Self-Assembled Molecular Capsule
Cooperativity in Long alpha- and 3(10)-Helical Polyalanines: Both Electrostatic and van der Waals In