Selective excitation, relaxation, and energy channeling in molecular systems

Technical Report · Sun Aug 01 04:00:00 EDT 1993

DOI:https://doi.org/10.2172/6083400· OSTI ID:6083400

Rhodes, W C

Research involves theoretical studies of response, relaxation, and correlated motion in time-dependent behavior of large molecular systems ranging from polyatomic molecules to protein molecules in their natural environment. Underlying theme is subsystem modulation dynamics. Main idea is that quantum mechanical correlations between components of a system develop with time, playing a major role in determining the balance between coherent and dissipative forces. Central theme is interplay of coherence and dissipation in determining the nature of dynamic structuring and energy flow in molecular transformation mechanisms. Subsystem equations of motion are being developed to show how nonlinear, dissipative dynamics of a particular subsystem arise from correlated interactions with the rest of the system (substituent groups, solvent, lattice modes, etc.); one consequence is resonance structures and networks. Quantum dynamics and thermodynamics are being applied to understand control and energy transfer mechanisms in biological functions of protein molecules; these mechanisms are both global and local. Besides the above theory, the research deals with phenomenological aspects of molecular systems.

• Research Organization: Florida State Univ., Tallahassee, FL (United States). Dept. of Chemistry
• Sponsoring Organization: DOE; USDOE, Washington, DC (United States)
• DOE Contract Number: FG05-86ER60473
• OSTI ID: 6083400
• Report Number(s): DOE/ER/60473-7; ON: DE93018819
• Country of Publication: United States
• Language: English

Related Subjects

550200* -- Biochemistry
59 BASIC BIOLOGICAL SCIENCES
664100 -- Theory of Electronic Structure of Atoms & Molecules-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
CONFORMATIONAL CHANGES
CORRELATIONS
DIFFERENTIAL EQUATIONS
DOCUMENT TYPES
DYNAMICS
ENERGY TRANSFER
EQUATIONS
EQUATIONS OF MOTION
MECHANICS
ORGANIC COMPOUNDS
PARTIAL DIFFERENTIAL EQUATIONS
PHASE TRANSFORMATIONS
POLYMERS
PROGRESS REPORT
PROTEINS
QUANTUM MECHANICS
RELAXATION
RESONANCE
THERMODYNAMICS