The PyPES library of high quality semi-global potential energy surfacesSibaev, Marat; Crittenden, Deborah L. · Journal of Computational Chemistry · 2015

PyVCI: A flexible open-source code for calculating accurate molecular infrared spectraSibaev, Marat; Crittenden, Deborah L. · Computer Physics Communications · 2016

Balancing accuracy and efficiency in selecting vibrational configuration interaction basis states using vibrational perturbation theorySibaev, Marat; Crittenden, Deborah L. · The Journal of Chemical Physics · 2016

Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanesKrasnoshchekov, Sergey V.; Schutski, Roman S.; Craig, Norman C.; Sibaev, Marat; Crittenden, Deborah L. · The Journal of Chemical Physics · 2018

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