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Material Type: Theses
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Content Type: Text
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Language: English
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Subject: Molecular dynamics
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Electronic Theses & Dissertations
47
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Creative Commons Licensed
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In Copyright
41
Subject
ATP-binding cassette transporters
1
Acetylene
1
Anisotropy
1
Bilayer lipid membranes
1
Biomolecules--Analysis
1
Biradicals
1
Boron
1
Bromine
1
Catalysis--Research
1
Catalytic RNA
1
Cell aggregation
1
Channeling (Physics)
1
Charge transfer
1
Chemical bonds
1
Chemical kinetics
1
Chemical reaction, Conditions and laws of
1
Chemiluminescence
1
Chemistry
1
Chemistry, Physical and theoretical
2
Chemistry, Physical and theoretical--Research
1
Chemistry--Mathematics
1
Cholesterol
1
Complex compounds
1
Computational chemistry
1
Computer science
1
Condensed matter
1
Crystalloids (Botany)
1
Cytochrome oxidase
1
Cytochromes
1
DNA repair
1
DNA--Research
1
Dyes and dyeing--Chemistry
1
Electromagnetic fields
1
Electron gas
1
Electron microscopy
1
Electronic data processing--Distributed processing
1
Electronic structure
1
Electrostatics
1
Energy transfer
4
Excited state chemistry
1
Exciton theory
1
Femtosecond lasers
1
Fluorescence
1
Folic acid
1
Gas-solid interfaces
1
Glutamine
1
Graphene
1
Heat of formation
1
Heat--Transmission
1
Intermolecular forces
7
Kinetic theory of matter
1
Laser pulses, Ultrashort
1
Laser spectroscopy
1
Lasers in chemistry
1
Ligands
1
Liposomes
2
Liquid crystals
1
Liquids
1
Machine learning
1
Metal ions
1
Micelles
2
Molecular dynamics--Simulation methods
1
Molecular rotation
1
Molecules
2
Multiphoton processes
1
Nanoscience
1
Nanostructured materials
1
Nitrides
1
Nonlinear waves
1
Nuclear magnetic resonance
1
Nucleic acids
1
Parallel processing (Electronic computers)
1
Perturbation (Mathematics)
1
Phase transformations (Statistical physics)
1
Photochemistry
1
Photochemistry--Research
1
Picosecond pulses
2
Plasma (Ionized gases)
1
Polarizability (Electricity)
3
Potential energy surfaces
1
Protein folding
1
Protein-protein interactions
1
Proteins
3
Proteins--Conformation
2
Proteins--Denaturation
1
Proteins--Structure-activity relationships
1
Quadrupole moments
1
Quantum chemistry
4
Quantum dots
1
Radicals (Chemistry)
1
Raman spectroscopy
1
Reactivity (Chemistry)
1
Relaxation (Gas dynamics)
2
Saturation vapor pressure
1
Semiconductor nanocrystals
1
Semiconductors--Junctions
1
Silicon
1
Solvation
1
Spark ignition engines--Combustion
1
Surfaces
1
Thermal conductivity
1
Time-resolved spectroscopy
1
Turbulence
1
Vibrational spectra
2
Wave functions
1
Wave mechanics
1
Wave packets
1
X-ray crystallography
1
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Computational methods for non-ideal plasmas
Stanek, Lucas J.
Text (2022)
Part of
Electronic Theses & Dissertations
Optimizing and improving the fidelity of reactive, polarizable molecular dynamics simulations on modern high performance computing architectures
O'Hearn, Kurt A.
Text (2022)
Part of
Electronic Theses & Dissertations
Analytical and computational study of electron bunch dynamics
Xiang, Xukun
Text (2020)
Part of
Electronic Theses & Dissertations
Molecular photochemistry at the nanoscale and developments towards modeling nonadiabatic dynamics on many electronic states
Esch, Michael Paul
Text (2020)
Part of
Electronic Theses & Dissertations
The enthalpy of formation and quadrupole moments of acetylene and doubly substituted acetylenes and acetylides, intermolecular interactions, and collision-induced molecular frame distortions
Gearhart, Dorothy J.
Text (2006)
Part of
Electronic Theses & Dissertations
Ultrafast dynamics of polyatomic molecules under intense laser radiation
Senekerimyan, Vahan Artsruni
Text (2004)
Part of
Electronic Theses & Dissertations
Femtosecond reaction dynamics in the gas phase
Marvet, Una
Text (1998)
Part of
Electronic Theses & Dissertations
Intramolecular triplet energy transfer in flexible molecules
Klán, Petr
Text (1998)
Part of
Electronic Theses & Dissertations
X-ray crystallographic studies of cytochrome c oxidase from Rhodobacter sphaeroides
Qin, Ling
Text (2005)
Part of
Electronic Theses & Dissertations
Experimental and computational investigation of early events in protein folding
Singh, Vijay R.
Text (2009)
Part of
Electronic Theses & Dissertations
Energies, polarizabilities, and forces of interacting molecules at long or intermediate range
Liang, Ying Q.
Text (1992)
Part of
Electronic Theses & Dissertations
Phase transitions in two dimensional diatomic molecular systems
Tang, San-yi
Text (1985)
Part of
Electronic Theses & Dissertations
Spectroscopic and computational studies of the effects of intermolecular interactions and vibrational energy transfer on the optical response of large chromophores in solution
McCarthy, Patty K.
Text (1996)
Part of
Electronic Theses & Dissertations
Studies of nuclear magnetic relaxation and molecular motions of some small molecules in dense phases
Huang, Shaw-Guang, 1949-
Text (1977)
Part of
Electronic Theses & Dissertations
Molecular dynamics simulation of thermal energy transport across material interfaces
Luo, Tengfei
Text (2009)
Part of
Electronic Theses & Dissertations
Scanning probe spectroscopy of individual dopants in silicon
Gasseller, Morewell
Text (2010)
Part of
Electronic Theses & Dissertations
Development of special molecular dynamics based methods to accelerate sampling of important protein motions
Su, Li
Text (2009)
Part of
Electronic Theses & Dissertations
Ultrafast stimulated spectroscopy studies of vibrational relaxation and short range solvent organization in organic solutions
Jiang, Ying
Text (1995)
Part of
Electronic Theses & Dissertations
Control of multiphoton molecular excitation with shaped femtosecond laser pulses
Xu, Bingwei
Text (2008)
Part of
Electronic Theses & Dissertations
Linear response functions of an interacting Fermi gas at T=0
Nimalakirthi, Rajasinghe
Text (1993)
Part of
Electronic Theses & Dissertations
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