Publications

King, Matthew D.; Buchanan, William D.; Korter, Timothy M..  Identification and Quantification of Polymorphism in the Pharmaceutical Compound Diclofenac Acid by Terahertz Spectroscopy and Solid-State Density Functional Theory. Analytical Chemistry (Washington, DC, United States)  (2011),  83(10),  3786-3792. doi:10.1021/ac2001934

King, Matthew D.; Ouellette, Wayne; Korter, Timothy M..  Noncovalent Interactions in Paired DNA Nucleobases Investigated by Terahertz Spectroscopy and Solid-State Density Functional Theory. Journal of Physical Chemistry A     ACS ASAP. doi:10.1021/jp111878h

King, Matthew D.; Korter, Timothy M..  Application of London-Type Dispersion Corrections in Solid-State Density Functional Theory for Predicting the Temperature-Dependence of Crystal Structures and Terahertz Spectra. Crystal Growth & Design  (2011),  11(5),  2006-2010. doi:10.1021/cg200211x

King, Matthew D.; Buchanan, William D.; Korter, Timothy M..  Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals. Physical Chemistry Chemical Physics  (2011),  13(10),  4250-4259. doi:10.1039/c0cp01595d

King, Matthew D.; Buchanan, William D.; Korter, Timothy M..  Understanding the terahertz spectra of crystalline pharmaceuticals: Terahertz spectroscopy and solid-state density functional theory study of (S)-(+)-ibuprofen and (RS)-ibuprofen. Journal of Pharmaceutical Sciences  (2011),  100(3),  1116-1129. doi:10.1002/jps.22339

Oppenheim, Keith C.; Korter, Timothy M.; Melinger, Joseph S.; Grischkowsky, Daniel.  Solid-State Density Functional Theory Investigation of the Terahertz Spectra of the Structural Isomers 1,2-Dicyanobenzene and 1,3-Dicyanobenzene. Journal of Physical Chemistry A  (2010),  114(47),  12513-12521. doi:10.1021/jp107597q

King, Matthew D.; Buchanan, William D.; Korter, Timothy M..  Investigating the Anharmonicity of Lattice Vibrations in Water-Containing Molecular Crystals through the Terahertz Spectroscopy of L-Serine Monohydrate. Journal of Physical Chemistry A  (2010),  114(35),  9570-9578.

King, Matthew D.; Korter, Timothy M..  Effect of Waters of Crystallization on Terahertz Spectra: Anhydrous Oxalic Acid and Its Dihydrate. Journal of Physical Chemistry A  (2010),  114(26),  7127-7138. DOI: 10.1021/jp101935n

Hakey, Patrick M.; Allis, Damian G.; Hudson, Matthew R.; Korter, Timothy M..  Density functional dependence in the theoretical analysis of the terahertz spectrum of the illicit drug MDMA (Ecstasy). IEEE Sensors Journal  (2010),  10(3),  478-484. DOI: 10.1109/JSEN.2009.2038445

Hakey, Patrick M.; Allis, Damian G.; Hudson, Matthew R.; Ouellette, Wayne; Korter, Timothy M..  Terahertz Spectroscopic Investigation of S-(+)-Ketamine Hydrochloride and Vibrational Assignment by Density Functional Theory. Journal of Physical Chemistry A  (2010),  114(12),  4364-4374. DOI: 10.1021/jp910861m

King, Matthew D.; Hakey, Patrick M.; Korter, Timothy M..  Discrimination of chiral solids: A terahertz spectroscopic investigation of L- and DL-Serine. Journal of Physical Chemistry A  (2010),  114(8),  2945-2953. DOI: 10.1021/jp911863v

Hakey, Patrick M.; Hudson, Matthew R.; Allis, Damian G.; Ouellette, Wayne; Korter, Timothy M..  Examination of Phencyclidine Hydrochloride via Cryogenic Terahertz Spectroscopy, Solid-State Density Functional Theory, and X-ray Diffraction. Journal of Physical Chemistry A  (2009),  113(46),  13013-13022. DOI: 10.1021/jp907083u

Hakey, Patrick M.; Allis, Damian G.; Hudson, Matthew R.; Ouellette, Wayne; Korter, Timothy M..  Investigation of (1R,2S)-(-)-Ephedrine by Cryogenic Terahertz Spectroscopy and Solid-State Density Functional Theory. ChemPhysChem  (2009),  10(14),  2434-2444. DOI: 10.1002/cphc.200900293

Wilkinson, John; Konek, Christopher T.; Moran, Jesse S.; Witko, Ewelina M.; Korter, Timothy M..  Terahertz absorption spectrum of triacetone triperoxide (TATP). Chemical Physics Letters  (2009),  478(4-6),  172-174. DOI: 10.1016/j.cplett.2009.07.079

Motley, Tanieka L.; Allis, Damian G.; Korter, Timothy M..  Investigation of crystalline 2-pyridone using terahertz spectroscopy and solid-state density functional theory. Chemical Physics Letters  (2009),  478(4-6),  166-171. DOI: 10.1016/j.cplett.2009.07.078

Hakey, Patrick M.; Allis, Damian G.; Ouellette, Wayne; Korter, Timothy M..  Cryogenic Terahertz Spectrum of (+)-Methamphetamine Hydrochloride and Assignment Using Solid-State Density Functional Theory. Journal of Physical Chemistry A  (2009),  113(17),  5119-5127. DOI: 10.1021/jp810255e

Fedor, Anna M.; Allis, Damian G.; Korter, Timothy M..  The terahertz spectrum and quantum chemical assignment of 2,2′-bithiophene in cyclohexane. Vibrational Spectroscopy  (2009),  49(2),  124-132. DOI: 10.1016/j.vibspec.2008.06.001

Motley, Tanieka L.; Korter, Timothy M..  Terahertz spectroscopy and molecular modeling of 2-pyridone clusters. Chemical Physics Letters  (2008),  464(4-6),  171-176. DOI: 10.1016/j.cplett.2008.09.021

Allis, Damian G.; Hakey, Patrick M.; Korter, Timothy M..  The solid-state terahertz spectrum of MDMA (Ecstasy) – A unique test for molecular modeling assignments. Chemical Physics Letters  (2008),  463(4-6),  353-356. DOI: 10.1016/j.cplett.2008.08.024

Allis, Damian G.; Zeitler, J. Axel; Taday, Philip F.; Korter, Timothy M..  Theoretical analysis of the solid-state terahertz spectrum of the high explosive RDX. Chemical Physics Letters  (2008),  463(1-3),  84-89. DOI: 10.1016/j.cplett.2008.08.014

Hakey, Patrick; Ouellette, Wayne; Zubieta, Jon; Korter, Timothy.  (S)-(+)-Ketamine hydrochloride. Acta Crystallographica, Section E: Structure Reports Online  (2008),  E64(8),  o1487, o1487/1-o1487/8. doi:10.1107/S1600536808021053

Hakey, Patrick; Ouellette, Wayne; Zubieta, Jon; Korter, Timothy.  Redetermination of cyclo-trimethylenetrinitramine. Acta Crystallographica, Section E: Structure Reports Online  (2008),  E64(8),  o1428, o1428/1-o1428/6. doi:10.1107/S1600536808019727

Hakey, Patrick; Ouellette, Wayne; Zubieta, Jon; Korter, Timothy.  Redetermination of (+)-methamphetamine hydrochloride at 90 K. Acta Crystallographica, Section E: Structure Reports Online  (2008),  E64(5),  o940, o940/1-o940/8. doi:10.1107/S1600536808011550

Allis, Damian G.; Korter, Timothy M..  Development of computational methodologies for the prediction and analysis of solid-state terahertz spectra. International Journal of High Speed Electronics and Systems  (2007),  17(2),  193-212. DOI No: 10.1142/S0129156407004436

Bjarnason, Jon E.; Brown, Elliott R.; Korter, Timothy M..  Comparison of the THz absorption feature in lactose to related saccharides. Proceedings of SPIE-The International Society for Optical Engineering  (2007),  6549(Terahertz for Military and Security Applications V),  65490L/1-65490L/9. DOI: 10.1117/12.725169

Allis, D. G.; Fedor, A. M.; Korter, T. M.; Bjarnason, J. E.; Brown, E. R.  Assignment of the lowest-lying THz absorption signatures in biotin and lactose monohydrate by solid-state density functional theory. Chemical Physics Letters  (2007),  440(4-6),  203-209. DOI: 10.1016/j.cplett.2007.04.032

Brown, E. R.; Bjarnason, J. E.; Fedor, A. M.; Korter, T. M..  On the strong and narrow absorption signature in lactose at 0.53 THz. Applied Physics Letters  (2007),  90(6),  061908/1-061908/3. DOI: 10.1063/1.2437107

Allis, Damian G.; Korter, Timothy M..  Theoretical analysis of the terahertz spectrum of the high explosive PETN. ChemPhysChem  (2006),  7(11),  2398-2408. DOI: 10.1002/cphc.200600456

Fedor, Anna M.; Korter, Timothy M..  Terahertz spectroscopy of 7-azaindole clusters in solution. Chemical Physics Letters  (2006),  429(4-6),  405-409. DOI: 10.1016/j.cplett.2006.07.101

Allis, Damian G.; Prokhorova, Darya A.; Fedor, Anna M.; Korter, Timothy M..  First principles analysis of the terahertz spectrum of PETN. Proceedings of SPIE-The International Society for Optical Engineering  (2006),  6212(Terahertz for Military and Security Applications IV),  62120F/1-62120F/11. DOI: 10.1117/12.665787

llis, Damian G.; Prokhorova, Darya A.; Korter, Timothy M..  Solid-State Modeling of the Terahertz Spectrum of the High Explosive HMX. Journal of Physical Chemistry A  (2006),  110(5),  1951-1959.  CODEN: JPCAFH  ISSN:1089-5639. DOI: 10.1021/jp0554285