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Computational chemistry: Application to biological systems
MOLECULAR SIMULATION
New approach to silver halide photography using radical cation chemistry
PURE AND APPLIED CHEMISTRY
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HELVETICA CHIMICA ACTA
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SYNTHETIC METALS
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PHOTOCHEMISTRY AND PHOTOBIOLOGY
Two-electron sensitization: A new concept for silver halide photography
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A quantum mechanical/molecular mechanical approach to relaxation dynamics:Calculation of the optical properties of solvated bacteriochlorophyll-a
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Ab initio molecular orbital calculations of electronic couplings in the LH2 bacterial light-harvesting complex of Rps-acidophila
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Highly active ethylene polymerisation catalysts based on iron: an ab initio study
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Vertical and relaxed structures of a reactive organosilane radical cation from CW and transient resonance Raman spectra
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Triplet 1-nitronaphthalene and competitive energy and electron transfer reactions with trans-stilbene
LASER CHEMISTRY
alpha-C-H bond dissociation energies of some tertiary amines
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Negative ion resonances and vibrational mode selectivity in inelastic electron scattering studies of hydrogen and diethylsilane adsorbed on Si(100)
CHEMICAL PHYSICS LETTERS
Charge-transfer complexes and energetic disorder in amorphous organic solids
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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Chemical communications
TIME-RESOLVED RESONANCE RAMAN AND MOLECULAR-ORBITAL STUDIES OF CHARGESEPARATION AND INTRAMOLECULAR REORGANIZATION
Chemical physics
Resonance Raman intensity analysis of a dicyanovinyl-azaadamantane: Mode-specific reorganization energies for charge-transfer and locally-excited states
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Faraday discussions
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THE EFFECTS OF BASIS-SET AND BLOCKING GROUPS ON THE CONFORMATIONAL ENERGIES OF GLYCYL AND ALANYL DIPEPTIDES - A HARTREE-FOCK AND MP2 STUDY
Journal of molecular structure. Theochem
COMBINED APPLICATION OF PICOSECOND TRANSIENT ABSORPTION AND EMISSION MEASUREMENTS IN STUDIES OF RADICAL-ION PAIR DYNAMICS
Photochemistry and photobiology
LOW-LYING EXCITED-STATES OF 4-DIMETHYLAMINOBENZONITRILE - EQUILIBRIUMGEOMETRIES, VIBRATIONAL FREQUENCIES AND CHARGE-TRANSFER CHARACTER
Chemical physics letters
NUCLEOPHILE-ASSISTED CLEAVAGE OF BENZYLTRIALKYLSILANE CATION RADICALS
Journal of the American Chemical Society
BOND-COUPLED ELECTRON-TRANSFER PROCESSES - A NEW STRATEGY FOR HIGH-EFFICIENCY PHOTOINDUCED ELECTRON-TRANSFER REACTIONS
Journal of the American Chemical Society
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THE MECHANISM OF THE CATALYSIS OF THE CLAISEN REARRANGEMENT OF CHORISMATE TO PREPHENATE BY THE CHORISMATE MUTASE FROM BACILLUS-SUBTILIS - AMOLECULAR MECHANICS AND HYBRID QUANTUM-MECHANICAL MOLECULAR MECHANICAL STUDY
Perkin transactions. 2
RESONANCE RAMAN ANALYSIS OF CHARGE-TRANSFER REORGANIZATION ENERGIES IN A COVALENT DICYANOETHYLENE-AZA-ADAMANTANE
Chemical physics letters
A SECOND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES (VOL 117, PG 5179, 1995)
Journal of the American Chemical Society
ABSOLUTE ENERGIES OF INTERCONVERTING CONTACT AND SOLVENT-SEPARATED RADICAL-ION PAIRS
Journal of the American Chemical Society
DYNAMICS OF BIMOLECULAR PHOTOINDUCED ELECTRON-TRANSFER REACTIONS
Accounts of chemical research
FACTORS CONTROLLING THE EFFICIENCIES OF PHOTOINDUCED ELECTRON-TRANSFER REACTIONS
Research of chemical intermediates
TAUTOMERISM IN URACIL, CYTOSINE AND GUANINE - A COMPARISON OF ELECTRON CORRELATION PREDICTED BY AB-INITIO AND DENSITY-FUNCTIONAL THEORY METHODS
Journal of molecular structure. Theochem
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Journal of the Chemical Society, Chemical Communications
SPECTROSCOPIC, KINETIC, AND THERMODYNAMIC DEUTERIUM-ISOTOPE EFFECTS IN THE HEXAMETHYLBENZENE TETRACYANOETHYLENE CHARGE-TRANSFER COMPLEX/
Journal of physical chemistry
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Journal of physical chemistry
PHOTOCHEMICAL ELECTRON-TRANSFER INITIATED OXIDATIVE FRAGMENTATION OF AMINOPINACOLS - FACTORS GOVERNING REACTION-RATES AND QUANTUM EFFICIENCIES OF C-C BOND-CLEAVAGE
Journal of physical chemistry
ADSORPTION ENERGIES OF NH3 AND NH4- AN EMBEDDED-CLUSTER MODEL INCLUDING ELECTRON CORRELATION( IN ZEOLITES )
Chemical physics letters
A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES
Journal of the American Chemical Society
DYNAMICS OF INTERCONVERSION OF CONTACT AND SOLVENT-SEPARATED RADICAL-ION PAIRS
Journal of the American Chemical Society
NOVEL INTERMOLECULAR AND INTRAMOLECULAR PHOTOCHEMICAL-REACTIONS INITIATED BY EXCITED-STATE ELECTRON-TRANSFER PROCESSES
Journal of photochemistry and photobiology. A, Chemistry
ACCURATE PREDICTION OF THE SOLVATION OF NUCLEOTIDE BASE-PAIRS USING AN AB-INITIO CONTINUUM MODEL
Perkin transactions. 2
THE RELATION BETWEEN HYDROGEN-BOND STRENGTHS AND VIBRATIONAL FREQUENCY-SHIFTS - A THEORETICAL-STUDY OF COMPLEXES OF OXYGEN AND NITROGEN PROTON ACCEPTORS AND WATER
Journal of molecular structure. Theochem
ELECTRONIC COUPLING MATRIX-ELEMENTS IN ACCEPTOR-DONOR EXCITED-STATES AND THE EFFECT OF CHARGE-TRANSFER CHARACTER ON THEIR RADIATIVE RATE CONSTANTS
Journal of the American Chemical Society
THEORETICAL INVESTIGATION OF THE HYDROGEN-BOND STRENGTHS IN GUANINE CYTOSINE AND ADENINE THYMINE BASE-PAIRS
Journal of the American Chemical Society
A QUANTUM-MECHANICAL INVESTIGATION OF THE CONFORMATIONAL ENERGETICS OF THE ALANINE AND GLYCINE DIPEPTIDES IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION
Journal of the American Chemical Society
MECHANISMS OF EXCIPLEX FORMATION - ROLES OF SUPEREXCHANGE, SOLVENT POLARITY, AND DRIVING-FORCE FOR ELECTRON-TRANSFER
Journal of the American Chemical Society
ELECTRONIC-STRUCTURES OF EXCIPLEXES AND EXCITED CHARGE-TRANSFER COMPLEXES
Journal of the American Chemical Society
A THEORETICAL-STUDY OF THE INFRARED-SPECTRA OF GUANINE TAUTOMERS
Spectrochimica acta. Part A: Molecular spectroscopy
RADIATIVE AND NONRADIATIVE ELECTRON-TRANSFER IN CONTACT RADICAL-ION PAIRS
Chemical physics
MODELING OF TAUTOMERIC EQUILIBRIA OF 5-HYDROXYISOXAZOLE IN AQUEOUS-SOLUTION
Perkin transactions. 2
INTRAMOLECULAR NUCLEOPHILE-ASSISTED CLEAVAGE OF ORGANOSILANE CATION RADICALS
Tetrahedron letters
SOLVATION OF ALANINE DIPEPTIDE - A QUANTUM-MECHANICAL TREATMENT
Journal of the Chemical Society, Chemical Communications
STERIC EFFECTS IN PHOTOINDUCED ELECTRON-TRANSFER REACTIONS
Journal of physical chemistry
MODELING OF ELECTROSTATIC INTERACTIONS BETWEEN NUCLEOTIDE BASES USINGDISTRIBUTED MULTIPOLES
Chemical physics letters
A QUANTITATIVE RELATIONSHIP BETWEEN RADIATIVE AND NONRADIATIVE ELECTRON-TRANSFER IN RADICAL-ION PAIRS
Journal of the American Chemical Society
CONCENTRATION-DEPENDENT PHOTOINDUCED ELECTRON-TRANSFER REACTIONS - 1 1 AND 1/2 RADICAL-ION COMPLEXES/
Journal of the American Chemical Society
EXPLANATION OF THE DRIVING-FORCE DEPENDENCE OF RETURN ELECTRON-TRANSFER IN CONTACT RADICAL-ION PAIRS
Journal of the American Chemical Society