1. Wave function-based electronic structure theory for solids Lange, Malte 2021 Theses Chemistry, Physical and theoreticalQuantum chemistryWave functions
2. Vibrational microscopy for super-multiplexing, vibrational sensing and high-throughput metabolic imaging Shi, Lixue 2020 Theses Chemistry, Physical and theoreticalRaman effectImaging systemsFluorescenceVibrational spectra
3. Verification of the H2O linelists with theoretically developed tools Ma, Qiancheng; Tipping, R. H.; Lavrentieva, Nina N.; Dudaryonok, Anna S. 2013 Articles Spectrum analysisChemistry, Physical and theoreticalWave functionsWave functions--Data processingEnergy levels (Quantum mechanics)Spectrum analysis--Data processing
4. Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function Weisman, Andrew Lee 2017 Theses Molecular structureMolecular structure--AnalysisRaman spectroscopyOligothiophenesElectronic structureChemistry, Physical and theoreticalQuantum theoryRenewable energy sources
5. Understanding and Representing the Kinetics of Gas-Phase Reaction Systems in Mixtures Lei, Lei 2021 Theses Chemistry, Physical and theoreticalChemical engineeringChemical kineticsPlasma chemistry
6. Understanding and Controlling Conjugated Polymer Conformation and Photophysics: From Single Molecules to Aggregates Kwon, Youngah 2020 Theses ChemistryChemistry, Physical and theoreticalMaterials scienceConjugated polymersFluorescence
7. Ultrafast Exciton Dynamics at Molecular Surfaces Monahan, Nicholas R. 2015 Theses Excited state chemistrySolar cells--Technological innovationsSolar cells--Design and constructionPicosecond pulsesExciton theoryChemistry, Physical and theoreticalCondensed matter
8. Two dimensional symmetric correlation functions of the Ŝ operator and two dimensional Fourier transforms: Considering the line coupling for P and R lines of linear molecules Ma, Qiancheng; Boulet, Christian; Tipping, R. H. 2014 Articles Chemistry, Physical and theoreticalFourier transform spectroscopySpectrum analysisSpectral line broadeningPressure broadening
9. Towards High-resolution Computational Approaches for Structure-based Drug Discovery Li, Jianing 2011 Theses ChemistryChemistry, Physical and theoreticalBiochemistry
10. Time-Resolved Spectroscopy Study on Carrier and Exciton Dynamics in Organo-Lead Iodide Perovskites Wu, Xiaoxi 2015 Theses Chemistry, Physical and theoreticalMaterials science
11. The relaxation matrix for symmetric tops with inversion symmetry. II. Line mixing effects in the ν1 band of NH₃ Boulet, Christian; Ma, Qiancheng 2016 Articles Ammonia--SpectraAmmoniaChemistry, Physical and theoreticalSpectral line broadeningSpectral line formationSpectrum analysis
12. The relaxation matrix for symmetric tops with inversion symmetry. I. Effects of line coupling on self-broadened ν1 and pure rotational bands of NH₃ Ma, Qiancheng; Boulet, Christian 2016 Articles Ammonia--SpectraAmmoniaChemistry, Physical and theoreticalSpectral line broadeningSpectral line formationSpectrum analysis
13. Theoretical study of CH3Cl-N2 line shapes in the ν1 band. Line mixing effects in QR doublets and QQk sub-branches Ma, Qiancheng; Boulet, Christian 2021 Articles Spectrum analysisSpectral line formationChemistry, Physical and theoreticalMethyl chloride
14. The Functional Mechanism of the Bacterial Ribosome, an Archetypal Biomolecular Machine Ray, Korak Kumar 2023 Theses BiophysicsChemistry, Physical and theoreticalRibosomesBiomoleculesMolecular biology--Statistical methodsBayesian statistical decision theoryMarkov processes
15. The Electron Hole System in Two-Dimensional Semiconductors and Their Heterostructures Wang, Jue 2020 Theses Chemistry, Physical and theoreticalCondensed matterSemiconductorsHeterostructuresExciton theoryHoles (Electron deficiencies)
16. Tailoring the (bio)activity of polymeric and metal oxide nano- and microparticles in biotic and abiotic environments Ponnurangam, Sathish 2012 Theses Environmental engineeringBiomedical engineeringChemistry, Physical and theoretical
17. Synthesis and Characterization of Nanoplatelets and Nanoplatelet Heterostructures made with Thiourea and Selone Precursors Saenz, Natalie 2022 Theses Materials scienceChemistry, InorganicChemistry, Physical and theoreticalSemiconductor nanocrystalsThioureaNanostructured materials
18. Structure & Condensation of Exciton-Polaritons in Lead Halide Perovskite Optical Cavities Spencer, Michael 2021 Theses ChemistryPhysicsChemistry, Physical and theoreticalPerovskiteExciton theoryPhotons
19. Structure and Property Correlations of Surface-Active Agents in the Control of Colloidal Behavior in Home/Personal Care and Biochemical Systems Kim, Derek Doowon 2021 Theses Chemistry, Physical and theoreticalMaterials scienceNanoscienceHygieneSurface active agentsBiosurfactants
20. Stimulated Raman Excited Fluorescence Spectroscopy and Microscopy Xiong, Hanqing 2020 Theses Raman spectroscopyOptical spectroscopyChemistry, Physical and theoretical
21. Spectroscopic Studies of Abiotic and Biological Nanomaterials: Silver Nanoparticles, Rhodamine 6G Adsorbed on Graphene, and c-Type Cytochromes and Type IV Pili in Geobacter sulfurreducens Thrall, Elizabeth Simmons 2012 Theses Chemistry, Physical and theoreticalNanoscienceBiophysics
22. Singlet Fission: A Twisted Tale Conrad-Burton, Felisa 2021 Theses Chemistry, Physical and theoreticalPower resourcesExciton theorySolar energyNuclear fissionRenewable energy sources
23. Single-Molecule Transistor from Graphene Nanoelectrodes and Novel Functional Materials From Self-assembly Xu, Qizhi 2017 Theses NanoscienceChemistry, Physical and theoreticalMaterials scienceTransistorsSelf-assembly (Chemistry)
24. Single-molecule studies of nucleic acid dynamics using carbon nanotube-based field-effect transistors Daly, Nathan Scott 2017 Theses Nucleic acidsNucleic acid hybridizationPhysical organic chemistryCarbon nanotubesChemistry, Physical and theoreticalBiophysicsElectrical engineering
25. Single-Molecule Circuits by Chemical Design Greenwald, Julia E. 2022 Theses Chemistry, Physical and theoreticalNanoscienceElectron transportScanning tunneling microscopy
26. Self-organization in systems of anisotropic particles Miller, William Leneal 2012 Theses Chemistry, Physical and theoretical
27. Self-assembly of Nanoparticles on Fluid and Elastic Membranes Saric, Andela 2013 Theses Chemistry, Physical and theoreticalNanoparticlesNanotubesMembranes (Technology)Carbon nanotubesMonte Carlo method
28. Resonance-energy-transfer-based fluorescence imaging and free energy perturbation calculation Xu, Fang 2018 Theses Chemistry, Physical and theoreticalProtein-protein interactionsFluorescenceEnergy transferBiochemistry
29. Relaxation Matrix for Symmetric Tops with Inversion Symmetry: Line Coupling and Line Mixing Effects on NH3 Lines in the nu4 Band Ma, Qiancheng; Boulet, C.; Tipping, R. H. 2017 Articles Chemistry, Physical and theoreticalFourier transformationsWave functionsAmmonia--SpectraSpectral line formation
30. Refinement of the Robert-Bonamy formalism: Considering effects from the line coupling Ma, Qiancheng; Boulet, Christian; Tipping, R. H. 2013 Articles Chemistry, Physical and theoreticalSpectral line broadeningPressure broadeningSpectrum analysis
31. Quantum Dynamics of Interacting Electrons and Phonons: Applications and Theoretical Developments Dunn, Ian Seth 2020 Theses Chemistry, Physical and theoreticalPhysicsQuantum theoryQuantum theory--Mathematical models
32. Probing Heterogeneous Dynamics One Molecule at a Time: Polystyrene near the Glass Transition Manz, Alyssa Sarah Jane Hennings 2019 Theses Chemistry, Physical and theoreticalMaterials sciencePolystyrenePolymersGlass transition temperatureDynamics
33. Potassium Channel KcsA and Its Lipid Environment Howarth, Gary Stanley 2019 Theses BiophysicsChemistry, Physical and theoreticalMembrane proteinsPotassium channelsNuclear magnetic resonance spectroscopy
34. Polyelectrolyte-Surfactant Phase Behavior and Mechanisms of Interaction in Multi-Component Systems Martinez-Santiago, Jose 2015 Theses Chemistry, Physical and theoretical
35. Patch contribution to near-field radiative energy transfer and van derWaals pressure between two half-spaces Zheng, Yi; Narayanaswamy, Arvind 2014 Articles Mechanical engineeringChemistry, Physical and theoretical
36. Origin of defect-related green emission from ZnO nanoparticles: effect of surface modification Gong, Yinyan; Andelman, Tamar; Neumark, Gertrude; O’Brien, Stephen; Kuskovsky, Igor 2007 Articles PhotoluminescenceNanofluidsSpectral energy distributionNanoparticlesNanosciencePhysicsChemistry, Physical and theoretical
37. Optical studies of intercalated and strongly doped 2D materials Guo, Yinsheng 2014 Theses Molybdenum disulfideChemistry, Physical and theoreticalMaterials scienceGraphene
38. Optical Spectroscopy of Excitons at the Interfaces of Nanostructures Raja, Archana 2016 Theses NanostructuresGrapheneHeterostructuresNanostructured materialsChemistry, Physical and theoreticalPhysicsMaterials science
39. Optical Characterization of chemically doped and/or intercalated thin layers graphene: Raman and Contrast Study Jung, Naeyoung 2011 Theses ChemistryChemistry, Physical and theoretical
40. On the Electronic Structure and Thermodynamics of Alloys Sigli, Christophe 1986 Theses AlloysThermodynamic equilibriumPhase rule and equilibriumMaterials scienceChemistry, Physical and theoretical
41. Nonlinear optical microscopy for the invisible: vibrational imaging of small molecules in live cells and electronic imaging of fluorophores into the ultra deep Wei, Lu 2015 Theses ChemistryChemistry, Physical and theoreticalBiophysics
42. Multi-Photon Spectroscopic Studies of Molecule/Metal Interfaces and Graphene Hong, Sung Young 2014 Theses ChemistryChemistry, Physical and theoreticalPhysics
43. Microscopic theories of excitons and their dynamics Berkelbach, Timothy C. 2014 Theses Chemistry, Physical and theoreticalCondensed matterChemistry
44. Methods for analyzing the concentration and speciation of major and trace elements in marine particles Lam, Phoebe J.; Twining, Benjamin S.; Jeandel, Catherine; Roychoudhury, Alakendra; Resing, Joseph A.; Santschi, Peter H.; Anderson, Robert F. 2015 Articles Trace elements--AnalysisChemical oceanographyBiogeochemistryIsotopesChemistryChemistry, Physical and theoretical
45. Melting in Superheated Silicon Films Under Pulsed-Laser Irradiation Wang, Jin Jimmy 2016 Theses Excimer lasersThin filmsThin films--Effect of radiation onThin films--Thermal propertiesSilicon oxide filmsMaterials scienceChemistry, Physical and theoretical
46. Low-dimensional Material: Structure-property Relationship and Applications in Energy and Environmental Engineering Xiao, Hang 2017 Theses Chemistry, Physical and theoreticalMaterials scienceEnvironmental sciences
47. Local structure and lattice dynamics study of low dimensional materials using atomic pair distribution function and high energy resolution inelastic x-ray scattering Shi, Chenyang 2015 Theses Materials scienceCondensed matterChemistry, Physical and theoretical
48. Lithium-Excess Research of Cathode Material Li2MnTiO4 for Lithium-Ion Batteries Zhang, Xinyi; Yang, Le; Hao, Feng; Chen, Haosen; Yang, Meng; Fang, Daining 2015 Articles TitanatesPhase transformations (Statistical physics)CathodesLithium ion batteriesElectrical engineeringPhysicsChemistry, Physical and theoretical
49. Line shape parameters of PH₃ transitions: Theoretical studies of self-broadened widths and line mixing effects Boulet, Christian; Ma, Qiancheng 2020 Articles Chemistry, Physical and theoreticalGas laws (Physical chemistry)Molecular rotationRadiative transitions
50. Line mixing in parallel and perpendicular bands of CO2: A further test of the refined Robert-Bonamy formalism Boulet, C.; Ma, Qiancheng; Tipping, R. H. 2015 Articles Carbon dioxideFourier transformationsAngular momentumChemistry, Physical and theoreticalSum rules (Physics)
51. Investigation of CO2 capture mechanisms of liquid-like nanoparticle organic hybrid materials via structural characterization Park, Youngjune; Decatur, John D.; Lin, Kun-Yi; Park, Ah-Hyung 2011 Articles Chemistry, Physical and theoretical
52. Investigating electron transfer across single-molecule junctions Gunasekaran, Suman 2021 Theses MicrophysicsNanoscienceChemistry, Physical and theoreticalElectron transportScanning tunneling microscopyMolecular orbitalsPhotoconductivity
53. Interactions between 0-Dimensional and 2-Dimensional Materials Chen, Zheyuan 2011 Theses Chemistry, Physical and theoretical
54. High efficiency nanocomposite sorbents for CO2 capture based on amine-functionalized mesoporous capsules Qi, Genggeng; Wang, Yanbing; Estevez, Luis; Duan, Xiaonan; Anako, Nkechi; Park, Ah-Hyung; Li, Wen; Jones, Christopher W.; Giannelis, Emmanuel P. 2011 Articles Chemistry, Physical and theoretical
55. Generalized quantum master equations: Getting more for less Montoya-Castillo, Andrés 2016 Theses Quantum theoryChemistry, Physical and theoreticalCondensed matterChemistry
56. Functional Imaging Through Dark State Dynamics Gatzogiannis, Evangelos George 2011 Theses Chemistry, Physical and theoreticalFluorescent probesFluorescenceTriplet state
57. From Ensemble to Single Molecule: The Origins of Debye-Stokes-Einstein Breakdown Near Tg Mandel, Nicole Lorraine 2022 Theses Chemistry, Physical and theoreticalMaterials scienceChemistryPolystyreneGlass transition temperature
58. Exploring two-dimensional superatomic semiconductors Zhong, Xinjue 2019 Theses Chemistry, Physical and theoreticalMaterials scienceSemiconductorsMicroclusters
59. Environmental isotopes and noble gases in the deep aquifer system of Kazan Trona Ore Field, Ankara, central Turkey and links to paleoclimate Arslan, Sebnem; Yazicigil, Hasan; Stute, Martin; Schlosser, Peter 2013 Articles Isotopes--Environmental aspectsPaleoclimatologyAquifers--MeasurementEnvironmental sciencesChemistry, Physical and theoretical
60. Electronic Properties of Molecular Silicon Li, Haixing 2017 Theses Chemistry, Physical and theoreticalMicrophysicsSilicon
61. Effects on calculated half-widths and shifts from the line coupling for asymmetric-top molecules Ma, Qiancheng; Boulet, Christian; Tipping, R. H. 2014 Articles Chemistry, Physical and theoreticalSpectrum analysisSpectral line broadeningPressure broadening
62. Dynamics of Stop-codon Recognition by Release Factor 1 Kinz-Thompson, Colin Donald 2016 Theses Genetic translationRibosomesChemistryBiophysicsChemistry, Physical and theoretical
63. Dynamics and spectroscopy of strongly coupled electrons and nuclei Fetherolf, Jonathan Holmes 2021 Theses Chemistry, Physical and theoreticalSpectrum analysisElectronsPerturbation (Quantum dynamics)Nuclear physicsPolaronsOrganic semiconductorsVibrational spectra
64. Domestic Rainwater Harvesting in a Water-Stressed Community and Variation in Rainwater Quality from Source to Storage Owusu-Boateng, G.; Gadogbe, M. K. 2015 Articles Chemistry, Physical and theoreticalDrinking waterWater--PurificationWater harvestingSustainabilityWater resources development--Management
65. Diffusion related processes in nanoconfined liquids and in proteins under force Cheng, Liwen 2012 Theses Chemistry, Physical and theoreticalChemistryAcetonitrileNanoporesGreen's functionsDiffusion
66. Development and application of chemical probes for vibrational imaging by stimulated Raman scattering Hu, Fanghao 2017 Theses Chemistry, Physical and theoreticalBiophysicsRaman effectVibration--MeasurementRaman spectroscopy
67. Designing Polar and Magnetic Oxides: Zn2FeTaO6 - in Search of Multiferroics Li, Man-Rong; Stephens, Peter W.; Retuerto, Maria; Sarkar, Tapati; Grams, Christoph P.; Hemberger, Joachim; Croft, Mark C.; Walker, David; Greenblatt, Martha 2014 Articles CrystalsChemistry, Physical and theoreticalMaterialsOxidesChemistryMaterials science
68. Contributions of Lattice Anharmonicities to Optoelectronic Properties of Lead Halide Perovskites Joshi, Prakriti Pradhan 2019 Theses Chemistry, Physical and theoreticalMaterials sciencePerovskiteOptoelectronics--MaterialsLattice dynamics
69. Contorted Organic Semiconductors for Molecular Electronics Zhong, Yu 2016 Theses Molecular electronicsMolecular electronics--MaterialsOptical detectorsGrapheneOptoelectronic devicesOptoelectronic devices--MaterialsOrganic semiconductorsChemistryChemistry, Physical and theoreticalMaterials science
70. Connections between structure and dynamics in model supercooled liquids Hocky, Glen Max 2014 Theses ChemistryChemistry, Physical and theoretical
71. Computers for chemistry and chemistry for computers: From computational prediction of reaction selectivities to novel molecular wires for electrical devices Schneebeli, Severin Thomas 2011 Theses ChemistryChemistry, OrganicChemistry, Physical and theoretical
72. Computational Methods for the Calculation of Electrochemical Properties and pKa Predictions Coskun, Dilek 2021 Theses ChemistryChemistry, Physical and theoreticalDrugs--ResearchCatalysisElectrochemistryIonization constants
73. Causal correlation functions and Fourier transforms: Application in calculating pressure induced shifts Ma, Qiancheng; Tipping, R. H.; Lavrentieva, Nina N. 2012 Articles Spectrum analysisSpectrum analysis--Data processingSignal processingPressure broadeningFourier transform spectroscopyHilbert transformChemistry, Physical and theoretical
74. Applications of Machine Learning to Single-Molecule Junction Studies Fu, Tianren 2021 Theses Chemistry, Physical and theoreticalMachine learningGoldMolecular electronicsScanning tunneling microscopy
75. Analytical Imaging for Complex Materials Hoang, Dat Tien 2017 Theses Chemistry, Physical and theoreticalMaterials scienceSupercooled liquids
76. Advancing Loop Prediction to Ultra-High Resolution Sampling Miller, Edward Blake 2014 Theses Sequence alignment (Bioinformatics)Proteins--Mathematical modelsChemistry, Physical and theoreticalChemistry
77. Active Matter and Choreography at the Colloidal Scale Harder, Joseph 2017 Theses Chemistry, Physical and theoreticalSocial psychologySelf-assembly (Chemistry)Microelectromechanical systemsColloids