NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.5. Richland, WA 99352 来自 钛学术 喜欢 0 阅读量: 66 作者:EJ Bylaska,WD Jong,N Govind,K Kowalski,J Hammond 摘要: Computational atomistic modeling has emerged as a powerful approach for fundamental studies in chemistry, ...