Ames Laboratory

Ivanic J, Schmidt MW, Luke B. High-level theoretical study of the NO dimer and tetramer: Has the tetramer been observed? J Chem Phys. 2012;137:214316. Abstract

DeFusco A, Ivanic J, Schmidt MW, Gordon MS. Solvent-Induced Shifts in Electronic Spectra of Uracil. J Phys Chem A. 2011;115:4574-82. Abstract

Schmidt MW, Ivanic J, Ruedenberg K. Electronic Structure Analysis of the Ground-State Potential Energy Curve of Be-2. Journal of Physical Chemistry A. 2010;114:8687-96. Abstract

Ivanic J, Ruedenberg K. Intrinsic local constituents of molecular electronic wave functions. II. Electronic structure analyses in terms of intrinsic oriented quasi-atomic molecular orbitals for the molecules FOOH, H2BH2BH2, H2CO and the isomerization HNO -> NOH. Theor Chem Acc. 2008;120:295-305. Abstract

Ivanic J, Atchity GJ, Ruedenberg K. Intrinsic local constituents of molecular electronic wave functions. I. Exact representation of the density matrix in terms of chemically deformed and oriented atomic minimal basis set orbitals. Theor Chem Acc. 2008;120:281-94. Abstract