A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

Theoretical vibrational spectra of OH−(H2O)2: the effect of quantum distribution and vibrational coupling

(2015) Yudai Ogata et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fundamental Change in the Nature of Chemical Bonding by Isotopic Substitution

(2014) Donald G. Fleming et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Quantum localization/delocalization of muonium in the glycine–K+ complex

(2014) Takehiro Yoshikawa et al.   CHEMICAL PHYSICS

Accurate Prediction of Hyperfine Coupling Constants in Muoniated and Hydrogenated Ethyl Radicals: Ab Initio Path Integral Simulation Study with Density Functional Theory Method

(2014) Kenta Yamada et al.   Journal of Chemical Theory and Computation

Geometric isotope effects on small chloride ion water clusters with path integral molecular dynamics simulations

(2013) Qi Wang et al.   CHEMICAL PHYSICS

Ab Initio Path Integral Molecular Dynamics Study of the Nuclear Quantum Effect on Out-of-Plane Ring Deformation of Hydrogen Maleate Anion

(2013) Yukio Kawashima et al.   Journal of Chemical Theory and Computation

New results for the formation of a muoniated radical in the Mu + Br2 system: a van der Waals complex or evidence for vibrational bonding in Br–Mu–Br?

(2012) Donald G. Fleming et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Isotope Effects and the Temperature Dependences of the Hyperfine Coupling Constants of Muoniatedsec-Butyl Radicals in Condensed Phases

(2011) Donald G. Fleming et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Calculations of Hyperfine Coupling Constants for Muoniated Butyl Radicals

(2011) Ya Kun Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic structure computational study of H and Mu addition to CS double bonds

(2010) Takanori Kobayashi et al.   Computational and Theoretical Chemistry

Temperature and isotope effects on water cluster ions with path integral molecular dynamics based on the fourth order Trotter expansion

(2008) Kimichi Suzuki et al.   JOURNAL OF CHEMICAL PHYSICS