Symmetry breaking in the planar configurations of disilicon tetrahalides: Pseudo-Jahn–Teller effect parameters, hardness and electronegativity

Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride

(2014) Kartik Chandra Mondal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pseudo-Jahn–Teller Effect—A Two-State Paradigm in Formation, Deformation, and Transformation of Molecular Systems and Solids

(2013) Isaac B. Bersuker   CHEMICAL REVIEWS

Deviations from Born–Oppenheimer Theory in Structural Chemistry: Jahn–Teller, Pseudo Jahn–Teller, and Hidden Pseudo Jahn–Teller Effects in C3H3 and C3H3–

(2013) H. Kayi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Pseudo Jahn–Teller Effect and Natural Bond Orbital Analysis of Structural Properties of Tetrahydridodimetallenes M2H4, (M = Si, Ge, and Sn)

(2013) Davood Nori-Shargh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Bondpseudorotation, Jahn-Teller, and pseudo-Jahn-Teller effects in the cyclopentadienyl cation and its pentahalogeno derivatives

(2012) Wenli Zou et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases

(2012) Michael E. Foster et al.   Journal of Chemical Theory and Computation

Pseudo Jahn–Teller origin of bending instability of triatomic molecules

(2012) Hakan Kayi et al.   JOURNAL OF MOLECULAR STRUCTURE

Pseudo Jahn-Teller Origin of Perovskite Multiferroics, Magnetic-Ferroelectric Crossover, and Magnetoelectric Effects: Thed0−d10Problem

(2012) Isaac B. Bersuker   PHYSICAL REVIEW LETTERS

Long-range corrected hybrid functionals for π-conjugated systems: Dependence of the range-separation parameter on conjugation length

(2011) Thomas Körzdörfer et al.   JOURNAL OF CHEMICAL PHYSICS

Pseudo Jahn–Teller origin of cis–trans and other conformational changes. The role of double bonds

(2011) Pablo Garcia-Fernandez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combined Jahn−Teller and Pseudo-Jahn−Teller Effect in the CO3Molecule: A Seven-State Six-Mode Problem

(2009) Yang Liu et al.   Journal of Chemical Theory and Computation

Why are time-dependent density functional theory excitations in solids equal to band structure energy gaps for semilocal functionals, and how does nonlocal Hartree–Fock-type exchange introduce excitonic effects?

(2008) Artur F. Izmaylov et al.   JOURNAL OF CHEMICAL PHYSICS