• 2799 Citations
  • 28 h-Index
19982019
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Research Output 1998 2019

  • 2799 Citations
  • 28 h-Index
  • 96 Article
  • 11 Conference contribution
  • 1 Review article
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Article
2019
1 Citation (Scopus)

Anomalous Temperature Dependence of the Lowest-Frequency Lattice Vibration in Crystalline γ-minobutyric Acid

Dampf, S. J. & Korter, T. M., Mar 14 2019, In : Journal of Physical Chemistry A. 123, 10, p. 2058-2064 7 p.

Research output: Contribution to journalArticle

Lattice vibrations
lattice vibrations
gamma-Aminobutyric Acid
Crystalline materials
low frequencies

Defining the origins of multiple emission/excitation in rhenium-bisthiazole complexes

Azzarelli, N., Ponnala, S., Aguirre, A., Dampf, S. J., Davis, M. P., Ruggiero, M. T., Lopez Diaz, V., Babich, J. W., Coogan, M., Korter, T. M., Doyle, R. P. & Zubieta, J. A., Apr 1 2019, In : Inorganica Chimica Acta. 489, p. 301-309 9 p.

Research output: Contribution to journalArticle

Rhenium
Thiazoles
Putrescine
rhenium
Carbon Monoxide
1 Citation (Scopus)

Mapping the polymorphic transformation gateway vibration in crystalline 1,2,4,5-tetrabromobenzene

Zaczek, A. J., Catalano, L., Naumov, P. & Korter, T. M., Jan 1 2019, In : Chemical Science. 10, 5, p. 1332-1341 10 p.

Research output: Contribution to journalArticle

Crystalline materials
Polymorphism
Phase transitions
Potential energy surfaces
Vibrational spectra

Terahertz Spectroscopy and Quantum Mechanical Simulations of Crystalline Copper-Containing Historical Pigments

Kleist, E. M., Koch Dandolo, C. L., Guillet, J. P., Mounaix, P. & Korter, T. M., Feb 14 2019, In : Journal of Physical Chemistry A. 123, 6, p. 1225-1232 8 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
pigments
Pigments
Copper
Crystalline materials
2018
5 Citations (Scopus)

Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy

Li, Q., Zaczek, A. J., Korter, T. M., Zeitler, J. A. & Ruggiero, M. T., Jan 1 2018, In : Chemical Communications. 54, 45, p. 5776-5779 4 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
Rotors
Metals
Point groups
Cobalt
1 Citation (Scopus)

Optical properties of Meloxicam in the far-infrared spectral region

Aytekin, Y. S., Köktürk, M., Zaczek, A., Korter, T. M., Heilweil, E. J. & Esenturk, O., Jan 1 2018, (Accepted/In press) In : Chemical Physics.

Research output: Contribution to journalArticle

meloxicam
drugs
Optical properties
Infrared radiation
optical properties
2017

Comparison of Intermolecular Forces in Anhydrous Sorbitol and Solvent Cocrystals

Dierks, T. M. & Korter, T. M., Aug 3 2017, In : Journal of Physical Chemistry A. 121, 30, p. 5720-5727 8 p.

Research output: Contribution to journalArticle

intermolecular forces
Sorbitol
mannitol
water
Water
3 Citations (Scopus)

Concomitant polymorphism and the martensitic-like transformation of an organic crystal

Ruggiero, M. T., Axel Zeitler, J. & Korter, T. M., 2017, In : Physical Chemistry Chemical Physics. 19, 42, p. 28502-28506 5 p.

Research output: Contribution to journalArticle

polymorphism
martensitic transformation
Polymorphism
Crystals
coordinate transformations
4 Citations (Scopus)

Distinguishing Quinacridone Pigments via Terahertz Spectroscopy: Absorption Experiments and Solid-State Density Functional Theory Simulations

Squires, A. D., Lewis, R. A., Zaczek, A. J. & Korter, T. M., May 11 2017, In : Journal of Physical Chemistry A. 121, 18, p. 3423-3429 7 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
pigments
Pigments
Density functional theory
absorption spectroscopy
2 Citations (Scopus)

Quantification of cation-anion interactions in crystalline monopotassium and monosodium glutamate salts

Ruggiero, M. T., Sibik, J., Erba, A., Zeitler, J. A. & Korter, T. M., 2017, In : Physical Chemistry Chemical Physics. 19, 42, p. 28647-28652 6 p.

Research output: Contribution to journalArticle

Sodium Glutamate
glutamates
Anions
Cations
Salts
15 Citations (Scopus)

The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation

Ruggiero, M. T., Krynski, M., Kissi, E. O., Sibik, J., Markl, D., Tan, N. Y., Arslanov, D., Van Der Zande, W., Redlich, B., Korter, T. M., Grohganz, H., Löbmann, K., Rades, T., Elliott, S. R. & Zeitler, J. A., Jan 1 2017, In : Physical Chemistry Chemical Physics. 19, 44, p. 30039-30047 9 p.

Research output: Contribution to journalArticle

Crystallization
Potential energy
potential energy
Potential energy surfaces
crystallization
2016
8 Citations (Scopus)

Evaluation of Range-Corrected Density Functionals for the Simulation of Pyridinium-Containing Molecular Crystals

Ruggiero, M. T., Gooch, J., Zubieta, J. A. & Korter, T. M., Feb 18 2016, In : Journal of Physical Chemistry A. 120, 6, p. 939-947 9 p.

Research output: Contribution to journalArticle

Molecular crystals
Potential energy surfaces
Gaging
functionals
Density functional theory
12 Citations (Scopus)

Examination of l -Glutamic Acid Polymorphs by Solid-State Density Functional Theory and Terahertz Spectroscopy

Ruggiero, M. T., Sibik, J., Zeitler, J. A. & Korter, T. M., Sep 29 2016, In : Journal of Physical Chemistry A. 120, 38, p. 7490-7495 6 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
glutamic acid
Polymorphism
Density functional theory
Glutamic Acid
13 Citations (Scopus)

Measuring the Elasticity of Poly-l-Proline Helices with Terahertz Spectroscopy

Ruggiero, M. T., Sibik, J., Orlando, R., Zeitler, J. A. & Korter, T. M., 2016, (Accepted/In press) In : Angewandte Chemie - International Edition.

Research output: Contribution to journalArticle

Terahertz spectroscopy
Proline
Elasticity
Elastic moduli
Rigidity
5 Citations (Scopus)

Origins of the relative stabilities of anhydrous and hydrated D-mannitol crystals

Dierks, T. M. & Korter, T. M., Aug 25 2016, In : Journal of Physical Chemistry A. 120, 33, p. 6629-6636 8 p.

Research output: Contribution to journalArticle

mannitol
Mannitol
Polymorphism
thermodynamics
Crystals
4 Citations (Scopus)

The crucial role of water in shaping low-barrier hydrogen bonds

Ruggiero, M. T. & Korter, T. M., 2016, In : Physical Chemistry Chemical Physics. 18, 7, p. 5521-5528 8 p.

Research output: Contribution to journalArticle

Hydrogen bonds
Metals
hydrogen bonds
Water
maleates
2 Citations (Scopus)

Uncovering the Terahertz Spectrum of Copper Sulfate Pentahydrate

Ruggiero, M. T. & Korter, T. M., Jan 21 2016, In : Journal of Physical Chemistry A. 120, 2, p. 227-232 6 p.

Research output: Contribution to journalArticle

Copper Sulfate
drying
Sulfates
sulfates
Drying
2015

Computations on the primary photoreaction of Br2 with CO2: Stepwise vs concerted addition of Br atoms

Xu, K., Korter, T. M. & Braiman, M. S., Apr 9 2015, In : Journal of Physical Chemistry A. 119, 14, p. 3348-3354 7 p.

Research output: Contribution to journalArticle

Atoms
Geometry
Photochemical reactions
geometry
Binding energy
19 Citations (Scopus)

Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy

Tan, N. Y., Ruggiero, M. T., Orellana-Tavra, C., Tian, T., Bond, A. D., Korter, T. M., Fairen-Jimenez, D. & Axel Zeitler, J., 2015, In : Chemical Communications. 51, 89, p. 16037-16040 4 p.

Research output: Contribution to journalArticle

Lattice vibrations
Dynamic analysis
Crystal structure
Gases
Spectroscopy
10 Citations (Scopus)

Origins of contrasting copper coordination geometries in crystalline copper sulfate pentahydrate

Ruggiero, M. T., Erba, A., Orlando, R. & Korter, T. M., 2015, In : Physical Chemistry Chemical Physics. 17, 46, p. 31023-31029 7 p.

Research output: Contribution to journalArticle

Copper Sulfate
Copper
sulfates
Metals
Crystalline materials
5 Citations (Scopus)

Origins of hydration differences in homochiral and racemic crystals of aspartic acid

Juliano, T. R. & Korter, T. M., Feb 26 2015, In : Journal of Physical Chemistry A. 119, 8, p. 1396-1403 8 p.

Research output: Contribution to journalArticle

aspartic acid
Aspartic Acid
Hydration
hydration
Crystals
12 Citations (Scopus)

Piezo-optic tensor of crystals from quantum-mechanical calculations

Erba, A., Ruggiero, M. T., Korter, T. M. & Dovesi, R., Oct 14 2015, In : The Journal of Chemical Physics. 143, 14, 144504.

Research output: Contribution to journalArticle

Tensors
Optics
tensors
optics
Derivatives
15 Citations (Scopus)

Terahertz disorder-localized rotational modes and lattice vibrational modes in the orientationally-disordered and ordered phases of camphor

Nickel, D. V., Ruggiero, M. T., Korter, T. M. & Mittleman, D. M., Mar 14 2015, In : Physical Chemistry Chemical Physics. 17, 10, p. 6734-6740 7 p.

Research output: Contribution to journalArticle

Camphor
camphor
Discrete Fourier transforms
vibration mode
disorders
17 Citations (Scopus)

Terahertz Spectroscopy and Computational Investigation of the Flufenamic Acid/Nicotinamide Cocrystal

Delaney, S. P. & Korter, T. M., Apr 2 2015, In : Journal of Physical Chemistry A. 119, 13, p. 3269-3276 8 p.

Research output: Contribution to journalArticle

Flufenamic Acid
Terahertz spectroscopy
nicotinamide
Niacinamide
solid state
10 Citations (Scopus)

The role of terahertz polariton absorption in the characterization of crystalline iron sulfate hydrates

Ruggiero, M. T., Bardon, T., Strlič, M., Taday, P. F. & Korter, T. M., Apr 14 2015, In : Physical Chemistry Chemical Physics. 17, 14, p. 9326-9334 9 p.

Research output: Contribution to journalArticle

Hydrates
hydrates
polaritons
Sulfates
sulfates
2014
10 Citations (Scopus)

Assignment of the terahertz spectra of crystalline copper sulfate and its hydrates via solid-state density functional theory

Ruggiero, M. T., Bardon, T., Strlič, M., Taday, P. F. & Korter, T. M., Oct 30 2014, In : Journal of Physical Chemistry A. 118, 43, p. 10101-10108 8 p.

Research output: Contribution to journalArticle

Copper Sulfate
Hydrates
hydrates
Density functional theory
sulfates
14 Citations (Scopus)

Conformational origins of polymorphism in two forms of flufenamic acid

Delaney, S. P., Smith, T. M. & Korter, T. M., 2014, In : Journal of Molecular Structure. 1078, p. 83-89 7 p.

Research output: Contribution to journalArticle

Flufenamic Acid
Polymorphism
Terahertz spectroscopy
Density functional theory
Conformations
6 Citations (Scopus)

Conformation versus cohesion in the relative stabilities of gabapentin polymorphs

Delaney, S. P., Smith, T. M. & Korter, T. M., 2014, In : RSC Advances. 4, 2, p. 855-864 10 p.

Research output: Contribution to journalArticle

Polymorphism
Conformations
Terahertz spectroscopy
Binding energy
Drug products
1 Citation (Scopus)

Crystal structure and terahertz spectroscopy of α,α,α', α'-tetrabromo-p-xylene modeled using solid-state density functional theory

Pellizzeri, S., Smith, T. M., Delaney, S. P., Korter, T. M. & Zubieta, J. A., Jan 24 2014, In : Journal of Molecular Structure. 1058, 1, p. 265-271 7 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
Density functional theory
Crystal structure
Molecular vibrations
Molecular crystals
4 Citations (Scopus)

London force correction disparity in the modeling of crystalline asparagine and glutamine

Juliano, T. R. & Korter, T. M., Dec 26 2014, In : Journal of Physical Chemistry A. 118, 51, p. 12221-12228 8 p.

Research output: Contribution to journalArticle

glutamine
Asparagine
Glutamine
Crystalline materials
Density functional theory
13 Citations (Scopus)

Low-temperature phase transition in crystalline aripiprazole leads to an eighth polymorph

Delaney, S. P., Smith, T. M., Pan, D., Yin, S. X. & Korter, T. M., Oct 1 2014, In : Crystal Growth and Design. 14, 10, p. 5004-5010 7 p.

Research output: Contribution to journalArticle

Polymorphism
Phase transitions
Crystalline materials
organic solids
Flufenamic Acid
18 Citations (Scopus)

Terahertz vibrational modes of the rigid crystal phase of succinonitrile

Nickel, D. V., Delaney, S. P., Bian, H., Zheng, J., Korter, T. M. & Mittleman, D. M., Apr 3 2014, In : Journal of Physical Chemistry A. 118, 13, p. 2442-2446 5 p.

Research output: Contribution to journalArticle

succinonitrile
vibration mode
Crystals
plastics
disorders
9 Citations (Scopus)

Using terahertz spectroscopy and solid-state density functional theory to characterize a new polymorph of 5-(4-pyridyl)tetrazole

Pellizzeri, S., Delaney, S. P., Korter, T. M. & Zubieta, J. A., Jan 16 2014, In : Journal of Physical Chemistry A. 118, 2, p. 417-426 10 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
tetrazoles
Polymorphism
Density functional theory
density functional theory
2013
4 Citations (Scopus)
Density functional theory
Substitution reactions
Metals
Manganese
Cobalt
12 Citations (Scopus)

Evaluating london dispersion force corrections in crystalline nitroguanidine by terahertz spectroscopy

Juliano, T. R., King, M. D. & Korter, T. M., 2013, In : IEEE Transactions on Terahertz Science and Technology. 3, 3, p. 281-287 7 p., 6502295.

Research output: Contribution to journalArticle

nitroguanidine
Terahertz spectroscopy
Crystalline materials
spectroscopy
solid state
24 Citations (Scopus)

Evaluating the roles of conformational strain and cohesive binding in crystalline polymorphs of aripiprazole

Delaney, S. P., Pan, D., Yin, S. X., Smith, T. M. & Korter, T. M., Jul 3 2013, In : Crystal Growth and Design. 13, 7, p. 2943-2952 10 p.

Research output: Contribution to journalArticle

Crystallization
Polymorphism
Crystalline materials
solid state
Density functional theory
13 Citations (Scopus)

Terahertz vibrations of crystalline acyclic and cyclic diglycine: Benchmarks for London force correction models

Juliano, T. R. & Korter, T. M., Oct 10 2013, In : Journal of Physical Chemistry A. 117, 40, p. 10504-10512 9 p.

Research output: Contribution to journalArticle

Glycylglycine
intermolecular forces
density functional theory
Crystalline materials
vibration
11 Citations (Scopus)
Terahertz spectroscopy
Density functional theory
Anions
Salts
Molecular vibrations
2012
12 Citations (Scopus)

Improved mode assignment for molecular crystals through anisotropic terahertz spectroscopy

Singh, R., George, D. K., Benedict, J. B., Korter, T. M. & Markelz, A. G., Oct 25 2012, In : Journal of Physical Chemistry A. 116, 42, p. 10359-10364 6 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
Molecular crystals
sucrose
Sucrose
Oxalic Acid
25 Citations (Scopus)

Investigating tautomeric polymorphism in crystalline anthranilic acid using terahertz spectroscopy and solid-state density functional theory

Delaney, S. P., Witko, E. M., Smith, T. M. & Korter, T. M., Aug 2 2012, In : Journal of Physical Chemistry A. 116, 30, p. 8051-8057 7 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
polymorphism
Polymorphism
Density functional theory
zwitterions
15 Citations (Scopus)
Molecular crystals
Lattice vibrations
Density functional theory
density functional theory
solid state
22 Citations (Scopus)

Revealing the true crystal structure of L-phenylalanine using solid-state density functional theory

King, M. D., Blanton, T. N. & Korter, T. M., Jan 21 2012, In : Physical Chemistry Chemical Physics. 14, 3, p. 1113-1116 4 p.

Research output: Contribution to journalArticle

Molecular crystals
phenylalanine
Phenylalanine
X ray powder diffraction
Density functional theory
14 Citations (Scopus)

Terahertz spectroscopy of the explosive taggant 2,3-dimethyl-2,3- dinitrobutane

Witko, E. M. & Korter, T. M., Jun 28 2012, In : Journal of Physical Chemistry A. 116, 25, p. 6879-6884 6 p.

Research output: Contribution to journalArticle

Terahertz spectroscopy
spectroscopy
Crystalline materials
Lattice vibrations
Liquid nitrogen
8 Citations (Scopus)

The importance of London dispersion forces in crystalline magnesium nitrate hexahydrate

Witko, E. M., Buchanan, W. D. & Korter, T. M., Jul 1 2012, In : Inorganica Chimica Acta. 389, p. 176-182 7 p.

Research output: Contribution to journalArticle

Magnesium
nitrates
magnesium
Nitrates
Crystalline materials
32 Citations (Scopus)

Understanding the origins of conformational disorder in the crystalline polymorphs of irbesartan

Delaney, S. P., Pan, D., Galella, M., Yin, S. X. & Korter, T. M., Oct 3 2012, In : Crystal Growth and Design. 12, 10, p. 5017-5024 8 p.

Research output: Contribution to journalArticle

irbesartan
Crystallization
Polymorphism
disorders
Crystalline materials
2011
17 Citations (Scopus)
Polymorphism
Density functional theory
oxalic acid
Crystal structure
density functional theory
60 Citations (Scopus)
Naproxen
Density functional theory
density functional theory
Crystalline materials
solid state
6 Citations (Scopus)
Vanadium
Polymorphism
Density functional theory
Phosphates
Infrared radiation
70 Citations (Scopus)
Terahertz spectroscopy
Diclofenac
Polymorphism
Density functional theory
Acids
15 Citations (Scopus)

Importance of accurate spectral simulations for the analysis of terahertz spectra: Citric acid anhydrate and monohydrate

King, M. D., Davis, E. A., Smith, T. M. & Korter, T. M., Oct 13 2011, In : Journal of Physical Chemistry A. 115, 40, p. 11039-11044 6 p.

Research output: Contribution to journalArticle

citric acid
Citric Acid
vibration mode
Lattice vibrations
simulation