Gemittelte Computer-Hörkurven mit biphasischer Verlaufsform
- 作者H. G. Chüden; H. M. Weinmann
- 卷第228卷
- 期第1期
- 印刷ISSN0937-4477
- 电子ISSN1434-4726
- 文件大小448.96KB
- 发表时间1980-06
- DOI10.1007/bf00455893
- 页码43-50
Electron-nucleus correlation functional for multicomponent density-functional theoryUdagawa, Taro; Tsuneda, Takao; Tachikawa, Masanori · Physical Review A · 2014
A multicomponent QM study of H 2 dissociation on small aluminum clusterUdagawa, Taro; Suzuki, Kimichi; Tachikawa, Masanori · Procedia Computer Science · 2017
H∕D isotope effect on porphine and porphycene molecules with multicomponent hybrid density functional theoryUdagawa, Taro; Tachikawa, Masanori · The Journal of Chemical Physics · 2006
Ab initio fragment molecular orbital (FMO) analysis of the structure of the phosphoinositide-binding peptide from gelsolinMasahito Tada; Takehiro Nagasima; Taro Udagawa; Masanori Tachikawa; Hideaki Sugawara · 2009
Multicomponent Molecular Orbital-Climbing Image-Nudged Elastic Band Method to Analyze Chemical Reactions Including Nuclear Quantum EffectUdagawa, Taro; Suzuki, Kimichi; Tachikawa, Masanori · ChemPhysChem · 2015
Theoretical Study on Hydrogen-Tritium Exchange Reactions between Several Organic and HTO Molecules: A Multicomponent QM StudyIshibashi, Rina; Tachikawa, Masanori; Udagawa, Taro · Bulletin of the Chemical Society of Japan · 2019
Theoretical analysis of H/D geometric isotope effect on adenine–thymine base pair using multi-component molecular orbital methodTaro Udagawa; Masanori Tachikawa · 2009
Analysis of exponent values of Gaussian-type functions on quantum protons and deuterons in charged or polarized systemsHashimoto, Marina; Ishimoto, Takayoshi; Tachikawa, Masanori; Udagawa, Taro · International Journal of Quantum Chemistry · 2016
Modern Electronic Structure TheoryDavidson, Ernest R. · Journal of Computational Chemistry · 1997
Editor's prefacevon R. Schleyer, Paul · Journal of Computational Chemistry · 1998
ForewordFrenking, Gernot · Journal of Computational Chemistry · 1999
Book reviewTaylor, Ethan Will · Journal of Computational Chemistry · 1999
ForewordKaupp, Martin; Malkin, Vladimir G. · Journal of Computational Chemistry · 1999
Book reviewLipkowitz, Kenny B. · Journal of Computational Chemistry · 2000
Book reviewStanton, John F. · Journal of Computational Chemistry · 2000
VARIATIONAL ELECTROSTATICS FOR CHARGE SOLVATIONWANG, ZHEN-GANG · Journal of Theoretical and Computational Chemistry · 2008