Atoms in molecules: beyond Born–Oppenheimer paradigm

Secondary Hydrogen Isotope Effects on the Structure and Stability of Cation−π Complexes (Cation = Li+, Na+, K+and π = Acetylene, Ethylene, Benzene)

(2010) Diego V. Moreno et al.   JOURNAL OF PHYSICAL CHEMISTRY A

How Ambiguous Is the Local Kinetic Energy?†

(2010) James S. M. Anderson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Exponential wave functions for atomic-molecular systems

(2010) T. K. Rebane   OPTICS AND SPECTROSCOPY

Review of multicomponent molecular orbital method for direct treatment of nuclear quantum effect

(2009) Takayoshi Ishimoto et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Charge asymmetry in pure vibrational states of the HD molecule

(2009) Sergiy Bubin et al.   JOURNAL OF CHEMICAL PHYSICS

Modified adiabatic approximation: Charge asymmetry in HD+ and HD

(2009) Krzysztof Strasburger   JOURNAL OF CHEMICAL PHYSICS

Solving non-Born–Oppenheimer Schrödinger equation for hydrogen molecular ion and its isotopomers using the free complement method

(2009) Yuh Hijikata et al.   JOURNAL OF CHEMICAL PHYSICS

Nuclear-Electronic Orbital Method within the Fragment Molecular Orbital Approach

(2009) Benjamin Auer et al.   Journal of Physical Chemistry C

Deuterium-substituted water–ammonia mixed trimer clusters, (H2O)n−3(NH3)n (n=0,1,2,3): Interaction energy, hydrogen bond structures, and Mulliken population

(2008) Yoko Kikuta et al.   CHEMICAL PHYSICS

Theoretical investigation of isotope effects: The any-particle molecular orbital code

(2008) Sergio A. González et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

H∕D isotope effect of methyl internal rotation for acetaldehyde in ground state as calculated from a multicomponent molecular orbital method

(2008) Takayoshi Ishimoto et al.   JOURNAL OF CHEMICAL PHYSICS

Multicomponent density-functional theory for electrons and nuclei

(2008) Thomas Kreibich et al.   PHYSICAL REVIEW A