Willem Siebrand
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Chemistry
Willem Siebrand's Degrees
- PhD Chemistry University of Amsterdam
- Masters Chemistry University of Amsterdam
- Bachelors Chemistry University of Amsterdam
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(Suggest an Edit or Addition)Willem Siebrand's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Radiationless Transitions in Polyatomic Molecules. I. Calculation of Franck—Condon Factors (1967) (356)
- Radiationless Transitions in Polyatomic Molecules. II. Triplet‐Ground‐State Transitions in Aromatic Hydrocarbons (1967) (343)
- Laser Generation of Excitons and Fluorescence in Anthracene Crystals (1965) (341)
- Spin–Orbit Coupling in Aromatic Hydrocarbons. Analysis of Nonradiative Transitions between Singlet and Triplet States in Benzene and Naphthalene (1971) (212)
- Model for the direct photo-isomerization of stilbene (1975) (206)
- Radiationless Transitions in Polyatomic Molecules. III. Anharmonicity, Isotope Effects, and Singlet‐to‐Ground‐State Transitions in Aromatic Hydrocarbons (1968) (172)
- Anharmonicity in Polyatomic Molecules. The CH‐Stretching Overtone Spectrum of Benzene (1968) (170)
- Theory of vibronic intensity borrowing. Comparison of Herzberg‐Teller and Born‐Oppenheimer coupling (1973) (149)
- Theory of Intersystem Crossing in Aromatic Hydrocarbons (1972) (136)
- Mechanism of Radiationless Triplet Decay in Aromatic Hydrocarbons and the Magnitude of the Franck—Condon Factors (1966) (134)
- Nuclear Spin—Spin Coupling Involving Heavy Nuclei. The Coupling between Hg199 and H1 Nuclei in CH3HgX and CH3CH2HgX Compounds (1963) (115)
- Franck–Condon effects in resonance Raman spectra and excitation profiles (1979) (109)
- Proton tunnelling in polyatomic molecules: A direct-dynamics instanton approach (1999) (86)
- Charge-transfer excitons in anthracene crystals and their role in optical charge carrier generation (1980) (83)
- A direct-dynamics study of the zwitterion-to-neutral interconversion of glycine in aqueous solution (2000) (80)
- An instanton approach to intramolecular hydrogen exchange: Tunneling splittings in malonaldehyde and the hydrogenoxalate anion (1995) (79)
- Golden-rule treatment of hydrogen-transfer reactions. 1. Principles (1984) (78)
- Theory of Charge Carrier Transport in Aromatic Hydrocarbon Crystals (1970) (78)
- Mode‐specific hydrogen tunneling in tropolone: An instanton approach (1996) (77)
- Transport of Quasilocalized Excitons in Molecular Crystals (1970) (76)
- Dispersive kinetics: a structural approach to nonexponential processes in disordered media (1986) (76)
- Charge-transfer excitons in anthracene crystals. A theoretical investigation of their optical absorption and thermal dissociation☆ (1981) (73)
- Theory of resonance Raman scattering. An improved formulation of the vibronic expansion method (1975) (70)
- Kinetic isotope effects for concerted multiple proton transfer: a direct dynamics study of an active-site model of carbonic anhydrase II. (2003) (69)
- Tunneling dynamics of double proton transfer in formic acid and benzoic acid dimers. (2005) (67)
- Isotope Rule for Radiationless Transitions with an Application to Triplet Decay in Aromatic Hydrocarbons (1967) (67)
- A direct-dynamics study of proton transfer through water bridges in guanine and 7-azaindole (2000) (67)
- Calculation and spectroscopic assignment of charge-transfer states in solid anthracene, tetracene and pentacene (1985) (64)
- Exactly solvable models for vibronic coupling in molecular spectroscopy. II. Totally symmetric harmonic mode (1976) (63)
- Mechanisms of vibronic intensity borrowing (1972) (58)
- Exactly solvable models for vibronic coupling in molecular spectroscopy. III. The pseudo Jahn–Teller effect (1978) (57)
- Effect of line broadening mechanisms on resonance Raman excitation profiles: A possible method for measuring short lifetimes (1976) (56)
- Mechanisms of intersystem crossing in aromatic hydrocarbons (1970) (54)
- Polaron Band Structure and Carrier Mobility in Crystals of Diatomic Molecules and Aromatic Hydrocarbons (1964) (51)
- SPIN-ORBIT COUPLING IN AROMATIC HYDROCARBONS. CALCULATION OF THE RADIATIVE TRIPLET LIFETIMES OF NAPHTHALENE ANTHRACENE AND PHENANTHRENE. (1969) (49)
- Temperature dependence of kinetic isotope effects for enzymatic carbon-hydrogen bond cleavage (2004) (49)
- Golden rule treatment of hydrogen-transfer reactions. II: Applications (1984) (48)
- Dynamics of tautomerism in porphine: An instanton approach (1998) (45)
- Trapping of Triplet Excitons and the Temperature Dependence of Delayed Fluorescence in Anthracene Crystals (1965) (43)
- Analysis and deconvolution of some J’≠0 rovibronic transitions in the high resolution S1←S0 fluorescence excitation spectrum of pyrazine (1989) (43)
- Calculation of Franck–Condon Factors for Radiationless Transitions Based on Selective Excitation of Single Vibronic Levels (1971) (43)
- Anharmonicity in polyatomic molecules: The problem of phase coincidence and applications to the CH-stretching overtone spectrum of benzene (1973) (42)
- Vibrational progressions in vibronically induced transitions (1976) (40)
- Correlated double-proton transfer. I. Theory. (2007) (38)
- Radiationless decay of vibronically coupled electronic states. II. Non‐Condon effects of nontotally symmetric accepting modes (1980) (38)
- Vibrational Structure of Electronic States of Molecular Aggregates. I. A Variation Approach to Dimeric Systems (1964) (38)
- Dynamics of the water-catalyzed phototautomerization of 7-azaindole (2001) (36)
- Calculation of the tunneling splitting in the zero-point level and CO-stretch fundamental of the formic acid dimer (2004) (35)
- Resonance Raman scattering in molecular dimers (1975) (35)
- Dynamics of molecular inversion: An instanton approach (1995) (34)
- Excitation profiles for totally symmetric modes in resonance Raman scattering (1975) (34)
- Effect of solvent-induced line broadening on resonance Raman excitation profiles and depolarization ratios (1982) (34)
- Mode-specific tunneling splittings in 9-hydroxyphenalenone: Comparison of two methods for direct tunneling dynamics (1998) (34)
- Assignment and vibrational analysis of the 600 nm absorption band in the phenoxyl radical and some of its derivatives (1993) (33)
- The structure of phenol-ammonia clusters before and after proton transfer. A theoretical investigation (1997) (32)
- Exact solution of a vibronic coupling model and its implications for the herzberg—teller expansion method (1975) (31)
- A quantum‐dynamics study of the prototropic tautomerism of guanine and its contribution to spontaneous point mutations in Escherichia coli (2001) (31)
- The dushinsky effect in resonance Raman spectroscopy (1979) (30)
- Triplet excitons as probes for structural imperfections in crystalline anthracene (1974) (30)
- Vibronic Coupling Criteria in Molecular Crystals (1964) (29)
- Comparison of synchronous and asynchronous hydrogen transfer mechanisms in free-base porphyrins☆ (1989) (29)
- Toluene internal-rotation: Measurement and simulation of the high-resolution S1–S0 fluorescence excitation spectrum at 0.5 K (2000) (29)
- Nonradiative Processes in Molecular Systems (1976) (29)
- Structural interpretation of non-exponential hydrogen transfer in glassy methanol☆ (1985) (28)
- N6.bul.-. Spectroscopic and Theoretical Studies of an Unusual Pseudohalogen Radical Anion (1995) (28)
- Vibronic coupling and line broadening in polyatomic molecules (1971) (28)
- DOIT: a program to calculate thermal rate constants and mode‐specific tunneling splittings directly from quantum‐chemical calculations (2001) (28)
- Intramolecular tunneling exchange of the inner hydrogen atoms in free-base porphyrins (1988) (27)
- Resonance Raman Spectroscopy—A Key to Vibronic Coupling (1979) (27)
- Radiationless decay of vibronically coupled electronic states (1978) (27)
- Vibrational structure of resonance raman spectra (1973) (26)
- The rainbow instanton method: a new approach to tunneling splitting in polyatomics. (2012) (26)
- Electronic propensity rule for radiationless transitions (1981) (25)
- Direct-Dynamics Approaches to Proton Tunneling Rate Constants. A Comparative Test for Molecular Inversions and an Application to 7-Azaindole Tautomerization (1999) (25)
- Mechanistic Analysis of Double Hydrogen Dyotropy in syn-Sesquinorbornene Disulfones. A Combined Kinetic and Theoretical Evaluation of Primary Deuterium Isotope Effects (1994) (25)
- Franck—Condon Factors for Radiationless Transitions (1971) (25)
- Analysis of vibronic intensities in the phosphorescence spectrum of dimethylbenzaldehydes in durene (1984) (24)
- Non-condon effects in the X→A electronic absorption band system of sulphur dioxide (1979) (24)
- Theoretical evaluation of the frequency and intensity of low-energy charge-transfer transitions in aromatic hydrocarbon crystals. I. Anthracene☆ (1987) (24)
- Radiationless decay of vibronically coupled electronic states. III. Strong coupling and its effect on triplet decay in aromatic hydrocarbons (1981) (23)
- Evaluation of reaction rate constants in media where they show dispersion: Hydrogen abstraction by methyl radicals in a methanol glass (1984) (23)
- Vibronic intensity borrowing. Deuterium effect and emission—absorption asymmetry of the S1S0 transition in pyrene☆ (1973) (21)
- Calculation of the isotope effect on the triplet lifetime of partially deuterated naphtalenes (1969) (21)
- Matrix elements for internal conversion (1978) (21)
- Quantitative interpretation of the absorption and emission spectra of 1,8‐diphenyl‐1,3,5,7‐octatetraene (1983) (20)
- Analysis of Raman excitation profiles for cis‐(CH)x and‐(CD)x polymers (1984) (20)
- Structural interpretation of hole burning in inhomogeneously broadened absorption bands (1985) (20)
- Spectroscopic effects of vibronic coupling between nearby 3nπ* and 3ππ* states of dimethylbenzaldehydes in a durene matrix (1979) (20)
- Theory of resonance Raman scattering beyond the Condon approximation for a system with two modes of different symmetry (1981) (19)
- Proton transfer dynamics via high resolution spectroscopy in the gas phase and instanton calculations. (2004) (19)
- Temperature and site dependence of the rate of hydrogen and deuterium abstraction by methyl radicals in methanol glasses (1984) (19)
- Theory of electron spin alignment through nonradiative processes in naphthalene and anthracene (1970) (19)
- New assignment of the vibrational structure of the V ← N transition in ethylene-d4 (1990) (19)
- Mechanisms of Double Proton Transfer. Theory and Applications (2008) (19)
- Matrix elements for intersystem crossing (1975) (18)
- GOLDEN‐RULE TREATMENT OF HYDROGEN‐TRANSFER REACTIONS. 2. APPLICATIONS (1984) (18)
- Vibrational structure of multiplicity-forbidden spectra. Non-condon effects and vibronic interference in hetero-aromatics☆ (1980) (18)
- Proton transfer and solvent reorganization in organic clusters. A theoretical study (1997) (18)
- Determination of the Lifetime of the Second Excited Triplet State of Anthracenes (1991) (18)
- Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature. (2016) (17)
- A new perturbation approach to coupling between adiabatic states (1974) (17)
- ELECTRONIC SPECTROSCOPY OF TRANS-STYRYLPYRIDINES AND THEIR CONJUGATE ACIDS (1979) (17)
- Spin-orbit coupling in aromatic hydrocarbons. The radiative triplet lifetime of naphthalene (1969) (17)
- Reinterpretation of charge-transfer bands observed in the electroabsorption spectra of solid aromatic hydrocarbons (1988) (16)
- Franck-condon factors for the predissociation of benzene☆ (1972) (16)
- Totally symmetric progressions in resonance Raman spectra and excitation profiles (1981) (16)
- Theoretical analysis of the vibrational structure of the T <-- N transition in ethylene (1989) (15)
- Theory of electron-phonon interactions in organic crystals. Effect on charge carrier transport (1971) (15)
- The analysis of unresolved Raman excitation profiles. 1—Totally symmetric vibrations with applications to ruthenium red and zirconium trisulfide (1982) (15)
- Observation and modeling of the recombination kinetics of diphenylmethyl radicals in the cavities of Na-X zeolite (1991) (15)
- Hydrogen abstraction by triplet ketones: Applicability of the electronic-vibrational energy transfer model (1972) (15)
- Sign of the Hall effect for hopping transport in molecular crystals (1970) (14)
- Phono-limited transport of charge carriers in molecular crystals (1969) (14)
- Inversion of the oxiranyl radical occurs by quantum-mechanical tunneling (1988) (14)
- Hydrogen abstraction by methyl radicals in glasses (1984) (14)
- Electron spin resonance (ESR) investigation of the structure of methyl radical trapping sites in methanol glass (1987) (14)
- Non-condon effects on radiationless triplet decay in benzene and naphthalene (1980) (14)
- Communication: Selection rules for tunneling splitting of vibrationally excited levels. (2013) (14)
- Multimode approach to hydrogen tunneling (1993) (14)
- Entanglement and co-tunneling of two equivalent protons in hydrogen bond pairs. (2018) (14)
- Local-mode analyis of radiationless triplet decay in condensed aromatic hydrocarbons☆ (1988) (14)
- Generalized Swain–Schaad relations including tunneling and temperature dependence (2005) (14)
- New interpretation of ground- and excited-state tunneling splitting in 2-pyridone . 2-hydroxypyridine (2004) (13)
- Non-Arrhenius behaviour of transitions across energy barriers due to crossing of potential energy surfaces (1978) (13)
- On the perturbation description of radiationless transitions (1972) (13)
- Resonance raman scattering in molecules with vibronically coupled excited states (1976) (12)
- Tunneling splitting in double-proton transfer: direct diagonalization results for porphycene. (2014) (12)
- Evidence for an Isotope Effect on Electron Drift Mobilities in Anthracene Crystals (1970) (11)
- On the relation between radiative and nonradiative transitions in molecules (1971) (11)
- Resonance Raman scattering in molecules with double minimum potentials (1977) (11)
- Vibronic and multimode effects on the raman excitation profile of a totally symmetric fundamental in the soret band of cytochrome c (1983) (11)
- Interaction between vibronic coupling and spin—orbit coupling in pyrazine (1979) (11)
- Delayed Fluorescence Quenching by Charge Carriers in Anthracene Crystals. A Quartet State Model (1973) (11)
- Zero-point tunneling splittings in compounds with multiple hydrogen bonds calculated by the rainbow instanton method. (2013) (11)
- Anharmonic potentials and vibronic energy levels for closely coupled molecular electronic states (1977) (10)
- Frequencies of intermolecular vibrations in electronically excited dimers and charge-transfer complexes in solids (1981) (10)
- Scaled and unscaled crude-adiabatic born-oppenheimer wavefunctions☆ (1977) (10)
- Weak and strong vibronic coupling limits in molecules and their correlation (1976) (10)
- Theoretical study of the excited-state proton-transfer threshold in 1-naphthol–ammonia complexes (2000) (10)
- Multiple Proton Transfer: From Stepwise to Concerted (2007) (9)
- Temperature Dependence of Radiationless Transitions (1969) (9)
- Optical charge carrier generation by charge-transfer excitation in pentacene crystals (1982) (9)
- Single vibronic level fluorescence spectra of pyrazine and their relation to vibronic coupling (1979) (9)
- Rotor-vibrator couplings in partially deuterated toluenes (1997) (9)
- Time dependence of optical charge carrier generation in anthracene crystals (1982) (8)
- Tunneling splitting and level ordering in a CO-stretch fundamental of the formic acid dimer (2008) (8)
- Theory of the Hall Effect in Aromatic Hydrocarbon Crystals (1970) (8)
- Inversion of the dioxolanyl radical: an experimental and theoretical study (1990) (8)
- Vibrational Structure of Electronic States of Molecular Aggregates. II. Extended Weak‐Coupling Theory of One‐Dimensional Lattices (1964) (8)
- Generalization of Raman intensity expressions so as to include resonance (1974) (8)
- Theoretical study of the structure of phenol–ammonia complexes subject to proton transfer (2001) (8)
- Theory of odd torsional transitions in the V−N resonance Raman spectrum of ethylene (1996) (6)
- Theoretical investigation of asymmetric methyl rotor dynamics in partially deuterated acetophenones (1992) (6)
- Theoretical study of a model for RNA solvolysis catalyzed by large ribozymes (2002) (6)
- Theoretical investigation of the inversion of the methylcyclopropyl radical (1989) (6)
- Theory of resonance raman scattering by degenerate modes due to renner-teller interactionin porphyrins☆ (1979) (6)
- Non-condon effects on radiative lifetimes of induced electronic transition (1980) (6)
- Polarizability of aromatic hydrocarbon ions (1983) (6)
- Relaxation in disordered systems (1986) (6)
- Kinetic Isotope Effects in Multiple Proton Transfer (2006) (5)
- On the Involvement of Triplet Excitons in a Two Photon Generation of Charge Carriers in Anthracene (1980) (5)
- Basis-independent matrix elements for radiationless transitions and their application to intersystem crossing☆ (1973) (5)
- Nature of an optically prepared state undergoing radiationless decay (1977) (5)
- Theoretical analysis of intramolecular double-hydrogen transfer in bridged-ring compounds (1993) (5)
- Methyl torsional fine structure in the high‐resolution S0→T(nπ*) excitation spectrum of acetophenone and its three methyl‐deuterated isotopomers (1991) (5)
- Theoretical investigation of a possible new stress‐induced anthracene crystal phase with a strong effect on triplet exciton transport (1990) (5)
- Recurrence and irreversibility in radiationless transitions (1972) (5)
- Intermolecular hydrogen tunneling in solids. Comparison between diabatic and adiabatic rate expressions (1988) (5)
- Multidimensional Hamiltonian for tunneling with position-dependent mass. (2014) (5)
- Charge-carrier drift mobility analysis for naphthalene (1980) (5)
- Time‐ and frequency‐resolved light scattering by isolated molecules. I. Nonperturbative treatment of a single‐doorway model (1986) (4)
- Model for the analysis of enzymatic proton-transfer reactions with an application to soybean lipoxygenase-1 and six mutants (2010) (4)
- Theoretical analysis of resonance Raman scattering in ethylene (1991) (4)
- GOLDEN‐RULE TREATMENT OF HYDROGEN‐TRANSFER REACTIONS. 1. PRINCIPLES (1984) (4)
- Theory of resonance Raman scattering by molecules subject to twisting with an application to ethylene (1990) (3)
- Observation and analysis of quantum beats in the P(2) rotational band of the S1←S0(0−0) excitation spectrum of pyrazine (1989) (3)
- Refined analysis of Raman excitation profiles for cis‐(CH)x and ‐(CD)x polymers (1989) (3)
- Normal-coordinate rotation as a cause of missing bands in molecular electronic spectra. The case of magnesium tetrabenzoporphine (1983) (3)
- Analysis of kinetic isotope effects in enzymatic carbon-hydrogen cleavage reactions. (2011) (3)
- Theoretical evaluation of anharmonic contributions to radiationless transitions in aromatic hydrocarbons (1968) (3)
- Recent developments in radiationless transitions (1970) (3)
- Competition between hydrogen and deuterium abstraction by methyl radicals in isotopomerically mixed methanol glasses (1993) (3)
- Triplet-triplet fluorescence and spin polarization. m-Xylylene type biradicals (1988) (2)
- Analysis of the nonexponential triplet-triplet fluorescence decay in methyl-substituted m-xylene biradicals (1991) (2)
- Observation and analysis of the cold fluorescence-excitation spectrum of 2,3-dimethyl-2-butene (1990) (2)
- Vibronic study of sudden polarization in ethylene derivatives (1982) (2)
- MODEL STUDY OF THE ABRUPT EXCESS-ENERGY DEPENDENCE OF RADIATIONLESS DECAY IN BENZENE AND AZABENZENES (1991) (1)
- Hydrogen Tunneling in Chemical Reactions. Comparison of the Golden-Rule Approach with Transition-State Theory (1986) (1)
- Site-selected fluorescence and fluorescence-excitation spectra of o-durylene-h12 and -d12 in n-hexane at 5–10 K (1984) (1)
- Mechanisms of CH-Bond Cleavage Catalyzed by Enzymes (2005) (1)
- Analysis of deuterium effects on the rate of multiphonon relaxation in hydrated cesium chloromanganate crystals (CsMnCl3-2H2O, -2D2O) (1983) (1)
- Charge Transfer Spectra of Aromatic Hydrocarbon Crystals (1983) (1)
- Analysis of the Nonexponential Triplet‐Triplet Fluorescence Decay in Methyl‐Substituted m‐Xylylene Biradicals. (1992) (0)
- Methyl Torsional Fine Structure in the High-Resolution S0 T(n. pi.*) Excitation Spectrum of Acetophenone and Its Three Methyl- Deuterated Isotopomers. (1991) (0)
- QUANTITATIVE INTERPRETATION OF THE ABSORPTION AND EMISSION SPECTRA OF 1,8-DIPHENYL-1,3,5,7-OCTATETRAENE (1983) (0)
- SINGLET-TRIPLET NONRADIATIVE TRANSITIONS IN AROMATIC HYDROCARBONS (1970) (0)
- Interpretation of Kinetic Isotope Effects in Enzymatic Cleavage of Carbon-Hydrogen Bonds (2010) (0)
- Combining instanton theory and ab initio data to model tunneling dynamics (1996) (0)
- ANHARMONICITY IN POLYATOMIC MOLECULES, THE PROBLEM OF PHASE COINCIDENCE AND APPLICATIONS TO THE CH-STRETCHING OVERTONE SPECTRUM OF BENZENE (1973) (0)
- New interpretation of proton and deuteron tunneling in 2′-methylacetophenone (2013) (0)
- ROTATIONAL FINE STRUCTURE IN THE FLUORESCENCE EXCITATION SPECTRUM OF TOLUENE (1998) (0)
- William George Schneider OC FRSC. 1 June 1915 — 18 February 2013 (2015) (0)
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What Schools Are Affiliated With Willem Siebrand?
Willem Siebrand is affiliated with the following schools:
