Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculationsAyako Nakata; Takao Tsuneda; Kimihiko Hirao · 2009

Spin-orbit relativistic long-range corrected time-dependent density functional theory for investigating spin-forbidden transitions in photochemical reactionsNakata, Ayako; Tsuneda, Takao; Hirao, Kimihiko · The Journal of Chemical Physics · 2011

Chiroptical Spectroscopy of SurfactantsPolavarapu, Prasad L.; Vijay, R. · The Journal of Physical Chemistry A · 2012

Vibrational Analysis of UreaKeuleers, R.; Desseyn, H. O.; Rousseau, B.; Van Alsenoy, C. · The Journal of Physical Chemistry A · 1999

Molecular Structure of ThioureaPuzzarini, Cristina · The Journal of Physical Chemistry A · 2012

Asphaltene Molecular Size and StructureGroenzin, Henning; Mullins, Oliver C. · The Journal of Physical Chemistry A · 1999

Blue-Shifting Hydrogen BondsHermansson, Kersti · The Journal of Physical Chemistry A · 2002

Electronegativity:  Chemical Hardness IReed, James L. · The Journal of Physical Chemistry A · 1997

Electronegativity:  Chemical Hardness IIReed, James L. · The Journal of Physical Chemistry A · 1997

Demystifying an Electrochemical OscillatorRudolph, Manfred; Hromadova, Magdalena; de Levie, Robert · The Journal of Physical Chemistry A · 1998