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Book
ISBN: 0333136713 Year: 1971 Publisher: London : Plenum Press,
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Chemical structure --- fysicochemie --- General biochemistry --- 539.184 --- #WSCH:MODS --- Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- 539.184 Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- Fluorescence. --- Nucleic acids. --- Phosphorescence --- Proteins
Book
ISBN: 0306357127 1468427954 1468427938 Year: 1976 Volume: vol 12 Publisher: New York (N.Y.) : Plenum press,
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-Optics --- -539.184 Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- Excited state chemistry --- Spectrum analysis --- 535 --- 539.184 --- 539.184 Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- 535 Optics --- Optics --- Congresses --- Experimental atomic and molecular physics --- Theoretical spectroscopy. Spectroscopic techniques --- fysicochemie --- Congresses.
Book
ISBN: 0824714024 Year: 1971 Publisher: New York, NY : Marcel Dekker,
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fysicochemie --- Photochemistry --- Molecular spectroscopy --- Spectroscopie moléculaire --- 539.184 --- #WSCH:FYS3 --- #WSCH:MODS --- Spectroscopy, Molecular --- Spectrum analysis --- Molecular spectra --- Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- 539.184 Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- Spectroscopie moléculaire
Book
ISBN: 0444418385 Year: 1979 Volume: 4 Publisher: Amsterdam Elsevier
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Atomic physics --- Atomic spectroscopy --- Energy levels (Quantum mechanics) --- Tables, etc --- Tables --- 539.184 --- -Energy levels (Quantum mechanics) --- -#WSCH:AAS2 --- Energy states (Quantum mechanics) --- Quantum theory --- Excited state chemistry --- Nuclear excitation --- Spectroscopy, Atomic --- Spectrum analysis --- Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- 539.184 Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- #WSCH:AAS2
Book
ISBN: 3540083243 0387083243 3642666981 3642666965 9783540083245 Year: 1977 Volume: 1 Publisher: Berlin : Springer,
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Book
ISBN: 3540108750 3540387862 0387108750 Year: 1981 Publisher: Berlin ; Heidelberg ; New York : Springer,
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539.184 --- 536 --- Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- Heat. Thermodynamics --- 536 Heat. Thermodynamics --- 539.184 Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- Fermions --- Thomas-Fermi, Modèle de --- Thermodynamics. --- Thomas-Fermi theory. --- Thermodynamique.
Book
ISBN: 981997321X Year: 2023 Publisher: Singapore : Springer,
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This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyze chemical reaction mechanisms by combining the reaction route map and the ab initio molecular dynamics. The key concept for the proposed tools is the Cartesian distance between pairwise molecular structures, and a practical procedure to get the optimal distance is introduced. The on-the-fly trajectory mapping method tracks the distance function between reference structures and molecular structures along the trajectory. Although this method provides fruitful insight into dynamic reaction behaviors, the visualization of reaction routes into a low-dimensional space is still challenging because of the multi-dimensionality. ReSPer successfully constructs a low-dimensional reaction space defined by mathematically-selected principal coordinates representing mutual distance relationships in the full-dimensional space. ReSPer also enables us to project trajectories into the reaction space in the reduced dimension. In this thesis, these methods are applied to several reactions, including bifurcating and photochemical reactions, revealing dynamically-allowed reaction mechanisms. This thesis provides robust and versatile tools to elucidate dynamical reaction routes on the basis of the reduced-dimensionality reaction route map and will help control chemical reaction dynamics and select descriptors for machine learning. .
Molecular dynamics. --- Reaction mechanisms (Chemistry). --- Chemistry, Physical and theoretical. --- Quantum theory. --- Materials science --- Electronic structure. --- Quantum chemistry --- Reaction Mechanisms. --- Theoretical Chemistry. --- Excited States. --- Electronic Structure Calculations. --- Data processing. --- Computer programs.
Book
ISBN: 0521084334 Year: 1971 Publisher: Cambridge Cambridge University press
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Theoretical spectroscopy. Spectroscopic techniques --- fysicochemie --- Atomic physics --- 539.184 --- Radiation --- Fluorescence --- Atoms --- Nuclear magnetic resonance --- #WSCH:AAS1 --- Magnetic resonance, Nuclear --- NMR (Nuclear magnetic resonance) --- Nuclear spin resonance --- Resonance, Nuclear spin --- Magnetic resonance --- Nuclear spin --- Nuclear quadrupole resonance --- Chemistry, Physical and theoretical --- Matter --- Stereochemistry --- Luminescence --- Radioactivity --- Physics --- Radiology --- Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- Constitution --- 539.184 Internal mechanics of atoms. Energy levels and structure. Excited states of atoms
Book
ISBN: 0471074136 Year: 1976 Publisher: London Wiley
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General biophysics --- 539.184 <063> --- Biomolecules --- -Excited state chemistry --- -Molecules --- -#WSCH:MODS --- Chemistry, Physical and theoretical --- Energy levels (Quantum mechanics) --- Quantum chemistry --- Biological molecules --- Molecules --- Molecular biology --- Internal mechanics of atoms. Energy levels and structure. Excited states of atoms--Congressen --- Congresses --- Excited state chemistry --- Biochemistry. --- Molecular biology. --- Congresses. --- 539.184 <063> Internal mechanics of atoms. Energy levels and structure. Excited states of atoms--Congressen --- #WSCH:MODS
ISBN: 0444408029 9780444408020 9780080867984 0080867987 1281984183 9781281984180 9786611984182 6611984186 Year: 1969 Volume: 3 Publisher: Amsterdam New York Elsevier
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The Formation and Decay of Excited Species
Chemical thermodynamics --- fysicochemie --- Radiochemistry --- Radiochemistry. --- Radiation. --- Force and energy. --- Conservation of energy --- Correlation of forces --- Energy --- Physics --- Dynamics --- Radiology --- Chemistry, Physical and theoretical --- Chemistry, Physical --- Energy Transfer --- Kinetics --- #WSCH:MODS --- 539.184 --- 539.184 Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- Internal mechanics of atoms. Energy levels and structure. Excited states of atoms --- Transfer, Energy --- Physical Chemistry --- Chemistries, Physical --- Physical Chemistries
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