Massimo Olivucci

Massimo Olivucci's AcademicInfluence.com Rankings

Massimo Olivucci

Chemistry

#5008

World Rank

#6109

Historical Rank

Physical Chemistry

#818

World Rank

#874

Historical Rank

chemistry Degrees

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Chemistry

Massimo Olivucci's Degrees

PhD Chemistry University of Siena

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Massimo Olivucci'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

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table (2016) (1089)
Potential energy surface crossings in organic photochemistry (1997) (576)
OpenMolcas: From source code to insight. (2019) (421)
Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization. (2000) (255)
Origin, nature, and fate of the fluorescent state of the green fluorescent protein chromophore at the CASPT2//CASSCF resolution. (2004) (235)
Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis Isomerization of the chromophore in the protein. (2004) (232)
Ultrafast Decay of Electronically Excited Singlet Cytosine via a π,π* to nO,π* State Switch (2002) (227)
Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry (2007) (222)
The C 5 H 6 NH 2 + Protonated Shiff Base: An ab Initio Minimal Model for Retinal Photoisomerization (1997) (215)
Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory level (2004) (191)
An MC-SCF Study of the S1 and S2 Photochemical Reactions of Benzene (1993) (187)
I - Computational Photochemistry (2005) (183)
Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores. (2017) (168)
The ultrafast photoisomerizations of rhodopsin and bathorhodopsin are modulated by bond length alternation and HOOP driven electronic effects. (2011) (148)
Modern quantum chemistry with [Open]Molcas. (2020) (146)
Ab Initio Photoisomerization Dynamics of a Simple Retinal Chromophore Model (1997) (143)
Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-State Two-Mode Pathway in Polymethine Cyanines (2000) (135)
Reaction Path of a sub-200 fs Photochemical Electrocyclic Reaction (2001) (135)
A conical intersection mechanism for the photochemistry of butadiene. A MC-SCF study (1993) (134)
Conical intersections as a mechanistic feature of organic photochemistry (1995) (131)
A Computational Strategy for Organic Photochemistry (2002) (130)
Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection. (2014) (130)
Optimization and characterization of the lowest energy point on a conical intersection using an MC-SCF Lagrangian (1992) (128)
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model. (2012) (126)
Relaxation Paths from a Conical Intersection: The Mechanism of Product Formation in the Cyclohexadiene/Hexatriene Photochemical Interconversion (1997) (120)
Photoisomerization Path for a Realistic Retinal Chromophore Model: The Nonatetraeniminium Cation (1998) (120)
Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level. (2005) (120)
The Azulene S1 State Decays via a Conical Intersection: A CASSCF Study with MMVB Dynamics (1996) (119)
Probing the rhodopsin cavity with reduced retinal models at the CASPT2//CASSCF/AMBER level of theory. (2003) (117)
What Happens during the Picosecond Lifetime of 2A1 Cyclohexa-1,3-diene? A CAS-SCF Study of the Cyclohexadiene/Hexatriene Photochemical Interconversion (1994) (115)
The color of rhodopsins at the ab initio multiconfigurational perturbation theory resolution (2006) (108)
Potential-energy surfaces for ultrafast photochemistry Static and dynamic aspects (1998) (106)
Ground and excited state CASPT2 geometry optimizations of small organic molecules (2003) (104)
Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore Model. (2015) (97)
Simulation of MC-SCF results on covalent organic multi-bond reactions: molecular mechanics with valence bond (MM-VB) (1992) (96)
Coherent ultrafast torsional motion and isomerization of a biomimetic dipolar photoswitch. (2010) (93)
Excited-State Potential Surface Crossings in Acrolein - A Model for Understanding the Photochemistry and Photophysics of Alpha,Beta-Enones (1994) (93)
The Molecular Mechanism of Thermal Noise in Rod Photoreceptors (2012) (92)
The mechanism of ground-state-forbidden photochemical pericyclic reactions: evidence for real conical intersections (1990) (88)
The retinal chromophore/chloride ion pair: structure of the photoisomerization path and interplay of charge transfer and covalent states. (2005) (86)
DO PHOTOCHEMICAL RING-OPENINGS OCCUR IN THE SPECTROSCOPIC STATE ? 1B2 PATHWAYS FOR THE CYCLOHEXADIENE/HEXATRIENE PHOTOCHEMICAL INTERCONVERSION (1996) (86)
Initial Excited-State Relaxation of the Isolated 11-cis Protonated Schiff Base of Retinal: Evidence for in-Plane Motion from ab Initio Quantum Chemical Simulation of the Resonance Raman Spectrum (1999) (86)
Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model. (2013) (81)
Relationship between photoisomerization path and intersection space in a retinal chromophore model. (2003) (78)
Counterion controlled photoisomerization of retinal chromophore models: a computational investigation. (2004) (76)
Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping (2010) (75)
An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds (2008) (75)
Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference and Equation-of-Motion Coupled-Cluster Methods. (2013) (73)
Structure of the Conical Intersections Driving the cis–trans Photoisomerization of Conjugated Molecules¶ (2002) (73)
Can Fulvene S1 Decay Be Controlled? A CASSCF Study with MMVB Dynamics (1996) (72)
Cooperating Rings in cis-Stilbene Lead to an S0/S1 Conical Intersection (1997) (72)
New General Tools for Constrained Geometry Optimizations. (2005) (71)
Molecular "Trigger" for the Radiationless Deactivation of Photoexcited Conjugated Hydrocarbons (1995) (71)
Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision (2018) (69)
‘Classical wavepacket’ dynamics through a conical intersection. Application to the S1/S0 photochemistry of benzene (1995) (67)
Excited‐state reaction pathways for s‐cis buta‐1,3‐diene (1995) (66)
The role of conical intersections and excited state reaction paths in photochemical pericyclic reactions (1997) (65)
Anabaena sensory rhodopsin is a light-driven unidirectional rotor (2010) (65)
CASPT2//CASSCF and TDDFT//CASSCF mapping of the excited state isomerization path of a minimal model of the retinal chromophore (2004) (64)
Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: the beta-ionone "handle" and alkyl group effect. (2005) (63)
Force Fields for “Ultrafast” Photochemistry: The S2 (1Bu) → S1 (2Ag) → S0 (1Ag) Reaction Path for all-trans-Hexa-1,3,5-triene (1997) (63)
Probing the Photochemical Funnel of a Retinal Chromophore Model via Zero-Point Energy Sampling Semiclassical Dynamics. (2004) (63)
A fast photoswitch for minimally perturbed peptides: investigation of the trans-->cis photoisomerization of N-methylthioacetamide. (2004) (63)
Conical Intersection Mechanism for Photochemical Ring Opening in Benzospiropyran Compounds (1997) (62)
Protein Influence on Electronic Spectra Modeled by Multipoles and Polarizabilities. (2009) (60)
Using the computer to understand the chemistry of conical intersections. (2011) (60)
Geometry optimisation on a hypersphere. Application to finding reaction paths from a conical intersection (1995) (59)
Excited-state cis-trans isomerization of cis-hexatriene (1994) (59)
Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods. (2013) (58)
Quantum chemical modeling and preparation of a biomimetic photochemical switch. (2007) (56)
Quantum chemical modeling of rhodopsin mutants displaying switchable colors. (2012) (55)
Mechanism of Carbene Formation from the Excited-States of Diazirine and Diazomethane - An MC-SCF Study (1994) (55)
Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbons. (2002) (54)
An MC-SCF Study of the (Photochemical) Paterno-Buchi Reaction (1994) (54)
The Thermal Decomposition of 1,2-Dioxetane Revisited (1999) (53)
Designing conical intersections for light-driven single molecule rotary motors: from precessional to axial motion. (2014) (53)
Relationship between the excited state relaxation paths of rhodopsin and isorhodopsin. (2008) (53)
Unique QM/MM Potential Energy Surface Exploration Using Microiterations (2011) (52)
Reaction path analysis of the "tunable" photoisomerization selectivity of free and locked retinal chromophores. (2002) (52)
Design and photochemical characterization of a biomimetic light-driven Z/E switcher. (2004) (49)
Complete-active-space self-consistent-field/Amber parameterization of the Lys296–retinal–Glu113 rhodopsin chromophore-counterion system (2004) (48)
Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins (2014) (48)
Structure of the intersection space associated with ZIE photoisomerization of retinal in rhodopsin proteins. (2004) (47)
Predicting Forbidden and Allowed Cycloaddition Reactions: Potential Surface Topology and Its Rationalization (1990) (47)
Conical Intersections and Organic Reaction Mechanisms (2004) (46)
Red-shifting mutation of light-driven sodium-pump rhodopsin (2019) (46)
Mechanistic origin of the vibrational coherence accompanying the photoreaction of biomimetic molecular switches. (2012) (45)
Modelling Photochemical Reactivity of Organic Systems — A New Challenge to Quantum Computational Chemistry (1993) (45)
Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology. (2016) (45)
Modeling, preparation, and characterization of a dipole moment switch driven by Z/E photoisomerization. (2010) (44)
Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center. (2015) (44)
Fluorescence of 2,3-Diazabicyclo[2.2.2]oct-2-ene Revisited: Solvent-Induced Quenching of the n,π*-Excited State by an Aborted Hydrogen Atom Transfer (1999) (43)
Parametrization of a Heitler–London valence bond Hamiltonian from complete‐active‐space self‐consistent‐field computations: An application to chemical reactivity (1988) (43)
Combined Self-Consistent-Field and Spin-Flip Tamm-Dancoff Density Functional Approach to Potential Energy Surfaces for Photochemistry. (2013) (43)
The Structure of the Nonadiabatic PhotochemicalTrans→CisIsomerization Channel in All-Trans Octatetraene (1996) (42)
Product Distribution in the Photolysis of s-cis Butadiene: A Dynamics Simulation (2001) (42)
Molecular mechanics valence bond methods for large active spaces. Application to conjugated polycyclic hydrocarbons (1994) (42)
A tiny excited-state barrier can induce a multiexponential decay of the retinal chromophore: a quantum dynamics investigation. (2005) (42)
Mixed state `on the fly' non-adiabatic dynamics: the role of the conical intersection topology (1998) (41)
A new mechanistic scenario for the photochemical transformation of ergosterol: an MC-SCF and MM-VB [molecular mechanics-VB] study (1992) (40)
The amide bond: pitfalls and drawbacks of the link atom scheme (2003) (39)
An MC-SCF/MP2 Study of the Photochemistry of 2,3-Diazabicyclo[2.2.1]hept-2-ene: Production and Fate of Diazenyl and Hydrazonyl Biradicals (1998) (39)
Potential energy surface crossings and the mechanistic spectrum for intramolecular electron transfer in organic radical cations. (2001) (39)
Fluorescence of radical ions in liquid solution: Wurster's blue as a case study. (2011) (39)
Chemiluminescent Decomposition of 1,2-Dioxetanes: An MC-SCF/MP2 Study with VB Analysis (1991) (38)
Ab initio MC-SCF study of thermal and photochemical [2 + 2] cycloadditions (1994) (38)
Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function. (2016) (37)
Excited-state singlet manifold and oscillatory features of a nonatetraeniminium retinal chromophore model. (2003) (37)
Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores. (2016) (37)
Chemical selectivity through control of excited-state dynamics. (2008) (36)
Molecular bases for the selection of the chromophore of animal rhodopsins (2015) (36)
Fluorescence Enhancement of a Microbial Rhodopsin via Electronic Reprogramming. (2018) (35)
Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model (2015) (35)
Inverse versus Normal Dithienylethenes: Computational Investigation of the Photocyclization Reaction (2013) (35)
Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory (2006) (34)
The short-chain acroleiniminium and pentadieniminium cations: towards a model for retinal photoisomerization. A CASSCF/PT2 study (1999) (34)
Toward an understanding of the retinal chromophore in rhodopsin mimics. (2013) (34)
a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement. (2019) (34)
The ring-opening reaction of chromenes: a photochemical mode-dependent transformation. (2005) (34)
Conical Intersection Pathways in the Photocycloaddition of Ethene and Benzene: A CASSCF Study with MMVB Dynamics (1996) (33)
The Mechanism for Hydrogen Abstraction by n,π* Excited Singlet States: Evidence for Thermal Activation and Deactivation through a Conical Intersection (1998) (33)
Do supra-antara paths really exist for 2 + 2 cycloaddition reactions? Analytical computation of the MC-SCF Hessians for transition states of ethylene with ethylene, singlet oxygen, and ketene. (1988) (33)
Substituent Effects in Buta-1,3-diene Photochemistry: A CAS-SCF Study of 2,3-Dimethylbutadiene and 2-Cyanobutadiene Excited-State Reaction Paths (1994) (33)
Quenching of tryptophan (1)(pi,pi*) fluorescence induced by intramolecular hydrogen abstraction via an aborted decarboxylation mechanism. (2002) (32)
Engineering the vibrational coherence of vision into a synthetic molecular device (2018) (31)
Minimum energy paths in the excited and ground states of short protonated Schiff bases and of the analogous polyenes (1998) (31)
Computational study on the origin of the stereoselectivity for the photochemical denitrogenation of diazabicycloheptene. (2003) (31)
An MC-SCF Study of Styrene Singlet-State Photoisomerization (1995) (30)
Learning from photobiology how to design molecular devices using a computer. (2014) (30)
Photoisomerization and relaxation dynamics of a structurally modified biomimetic photoswitch. (2012) (30)
Origin of Fluorescence in 11-cis Locked Bovine Rhodopsin. (2012) (29)
A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction (2018) (29)
Mechanism of the Norrish-Yang photocyclization reaction of an alanine derivative in the singlet state: origin of the chiral-memory effect. (2005) (29)
Computational Photobiology and Beyond (2010) (28)
Peptide-Based Materials (2012) (28)
Modeling Photochemical [4 + 4] Cycloadditions: Conical Intersections Located with CASSCF for Butadiene + Butadiene (1997) (28)
Origin of the absorption maxima of the photoactive yellow protein resolved via ab initio multiconfigurational methods. (2008) (28)
Mechanism of the Oxadi-π-methane and [1,3]-Acyl Sigmatropic Rearrangements of β,γ-Enones: A Theoretical Study (1996) (28)
Fluorenylidene-pyrroline biomimetic light-driven molecular switches. (2009) (27)
Can a photochemical reaction be concerted? A theoretical study of the photochemical sigmatropic rearrangement of but-1-ene (1992) (27)
Effects of the protein environment on the spectral properties of tryptophan radicals in Pseudomonas aeruginosa azurin. (2013) (26)
Excited state quenching via "unsuccessful" chemical reactions. (2002) (26)
Mechanism of the N-cyclopropylimine-1-pyrroline photorearrangement. (2005) (25)
An Average Solvent Electrostatic Configuration Protocol for QM/MM Free Energy Optimization: Implementation and Application to Rhodopsin Systems. (2017) (25)
Benchmarking the Molecular Mechanics-Valence Bond Method: Photophysics of Styrene and Indene (1997) (25)
Photostability versus photodegradation in the excited-state intramolecular proton transfer of nitro enamines: competing reaction paths and conical intersections. (2007) (25)
Impact of Electronic State Mixing on the Photoisomerization Time Scale of the Retinal Chromophore. (2017) (23)
Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins (2016) (23)
Photochemical processes: potential energy surface topology and rationalization using VB arguments (2001) (23)
PHOTOCHEMISTRY OF HIGHLY ALKYLATED DIENES : COMPUTATIONAL EVIDENCE FOR A CONCERTED FORMATION OF BICYCLOBUTANE (1999) (23)
Diabatic surface methods for the study of the reactivity of organic molecules. 1. Cycloaddition of two ethylenes (1986) (22)
Modeling the fluorescence of protein-embedded tryptophans with ab initio multiconfigurational quantum chemistry: the limiting cases of parvalbumin and monellin. (2009) (22)
Following reaction paths in organic photochemistry: The special role of surface crossings (1995) (22)
Role of the Molecular Environment in Flavoprotein Color and Redox Tuning: QM Cluster versus QM/MM Modeling. (2015) (22)
Photoisomerization mechanism of 11-cis-locked artificial retinal chromophores: acceleration and primary photoproduct assignment. (2005) (22)
Photoisomerization acceleration in retinal protonated Schiff-base models. (2003) (22)
Structure of the photochemical reaction path populated via promotion of CF(2)I(2) into its first excited state. (2009) (22)
Conical Intersections in Charge‐Transfer Induced Quenching (2000) (21)
A conical intersection controls the deactivation of the bacterial luciferase fluorophore. (2014) (21)
A simple approach for improving the hybrid MMVB force field: Application to the photoisomerization of s‐cis butadiene (2003) (20)
Fluorescence Quenching by Sequential Hydrogen, Electron, and Proton Transfer in the Proximity of a Conical Intersection. (2001) (20)
Synthesis of biomimetic light-driven molecular switches via a cyclopropyl ring-opening/nitrilium ion ring-closing tandem reaction (2007) (20)
An innovative approach to the design of plastic antibodies: molecular imprinting via a non-polar transition state analogue (2004) (20)
A Theoretical Study of the Low-Lying Excited States of trans- and cis-Urocanic Acid (1999) (20)
Theoretical Study of the Aromatic Character of the Transition States of Allowed and Forbidden Cycloadditions (1995) (20)
A Theoretical Study of the Low-Lying States of the Anionic and Protonated Ionic Forms of Urocanic Acid (2000) (19)
Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model. (2018) (19)
Effects of water re-location and cavity trimming on the CASPT2//CASSCF/AMBER excitation energy of Rhodopsin (2007) (19)
Origin of the nonstereospecificity in the ring opening of alkyl-substituted cyclobutenes (1992) (19)
Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model. (2017) (19)
Frontiers in Multiscale Modeling of Photoreceptor Proteins (2020) (18)
Characterization of the indacene S0/S1 conical intersection: an MMVB and CASSCF study (1999) (18)
MCSCF/MP2 Study of the Cheletropic Addition of Singlet and Triplet CF(2) and C(OH)(2) to the Ethene Double Bond. (1997) (18)
Does a concerted path exist for the head-to-tail [2.pi.S + 2.pi.S] cycloaddition of silaethylene? (1993) (17)
The existence and stability of singlet tetramethylene biradicals: an ab initio MCSCF/MP2 study (1992) (17)
Fast excited-state deactivation in N(5)-ethyl-4a-hydroxyflavin pseudobase. (2011) (16)
Factors controlling the synchronous versus asynchronous mechanism of the Cope rearrangement (1990) (16)
Potential energy surfaces of pseudoaromatic molecules: An MMVB and CASSCF study of pentalene (1996) (16)
Isomer-dependent vibrational coherence in ultrafast photoisomerization (2013) (15)
Switching on molecular iodine elimination through isomerization: The F2C–I–I isomer of difluorodiiodomethane (2008) (15)
Electronic State Mixing Controls the Photoreactivity of a Rhodopsin with all- trans Chromophore Analogues. (2018) (14)
An MC-SCF study of the thermal and photochemical cycloaddition of dewar benzene (1992) (14)
Quantum and quantum-classical studies of the photoisomerization of a retinal chromophore model. (2020) (14)
Toward a stable α-cycloalkyl amino acid with a photoswitchable cationic side chain. (2012) (14)
Computer simulation of photoinduced molecular motion and reactivity (2002) (13)
A concerted nonadiabatic reaction path for the singlet Di-π-methane rearrangement (1993) (13)
DIMERIZATION OF SILAETHYLENE : COMPUTATIONAL EVIDENCE FOR A NOVEL MECHANISM FOR THE FORMATION OF 1,3-DISILACYCLOBUTANE VIA A 1,2 APPROACH (1998) (13)
How Does the Relocation of Internal Water Affect Resonance Raman Spectra of Rhodopsin? An Insight from CASSCF/Amber Calculations. (2009) (13)
Stereochemical memory in the temperature-dependent photodenitrogenation of bridgehead-substituted DBH-type azoalkanes: inhibition of inverted-housane formation in the diazenyl diradical through the mass effect (inertia) and steric hindrance. (2002) (12)
Trans->cis isomerization in long linear polyenes as beta-carotene models: a comparative CAS-PT2 and DFT study (1997) (12)
CpHMD-Then-QM/MM Identification of the Amino Acids Responsible for the Anabaena Sensory Rhodopsin pH-Dependent Electronic Absorption Spectrum. (2019) (12)
Effect of point mutations on the ultrafast photo-isomerization of Anabaena sensory rhodopsin. (2017) (12)
Fluorous Chemistry (2012) (12)
Discrimination between hydrogen atom and proton abstraction in the quenching of n, π* singlet-excited states by protic solvents (1998) (12)
A novel biomimetic photochemical switch at work: design of a photomodulable peptide. (2009) (12)
THE ROLE OF DEGENERATE BIRADICALS IN THE PHOTOREARRANGEMENT OF ACYLCYCLOPROPENES TO FURANS (1996) (12)
Intrinsically Competitive Photoinduced Polycyclization and Double-Bond Shift through a Boatlike Conical Intersection. (2001) (11)
Mechanism of the initial conformational transition of a photomodulable peptide. (2005) (11)
Linear dichroism amplification: adapting a long-known technique for ultrasensitive femtosecond IR spectroscopy. (2011) (11)
Initial excited-state dynamics of an N-alkylated indanylidene-pyrroline (NAIP) rhodopsin analog. (2014) (11)
Web-ARM: A Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins (2020) (11)
Effect of opsin on the shape of the potential energy surfaces at the conical intersection of the Rhodopsin chromophore (2008) (10)
Complex excited dynamics around a plateau on a retinal-like potential surface: chaos, multi-exponential decays and quantum/classical differences (2007) (10)
Product Distributions from Molecular Mechanics−Valence Bond Dynamics: Modeling Photochemical [4 + 4] Cycloadditions (1998) (10)
Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins. (2019) (10)
Two-State, Three-Mode Parametrization of the Force Field of a Retinal Chromophore Model. (2019) (10)
Systematic Excited State Studies of Reversibly Switchable Fluorescent Proteins. (2018) (9)
Multi-State Multi-Configuration Quantum Chemical Computation of the Two-Photon Absorption Spectra of Bovine Rhodopsin. (2019) (9)
Theoretical Study of the 1,2 Rearrangement of Housane Radical Cations: Key Role of a Transient Cyclopentane-1,3-diyl Intermediate (1999) (9)
An MC-SCF Study of the S1 and S2 Photochemical Reactions of Benzene. (1993) (9)
Mechanism of Photodegradation of Polysilanes: A Relaxed Cross Section of the Conical Intersection Hyperline in 2-MethylTrisilane (1995) (9)
Diabatic surfaces for two-bond addition reactions. The role of resonance interaction (1987) (9)
Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor. (2019) (9)
Toward a computational photobiology (2005) (8)
Calculations of Excited‐State Conformational Properties (2002) (8)
A quantitative analysis of the factors controlling the inversion barriers in AH3 molecules (1985) (8)
Mechanism of excited state deactivation of indan-1-ylidene and fluoren-9-ylidene malononitriles. (2016) (8)
Molcas 8: MOLCAS 8: New Capabilities for Multiconﬁgurational Quantum Chemical Calculations across the Periodic Table. (2015) (7)
Effect of charge-transfer enhancement on the efficiency and rotary mechanism of an oxindole-based molecular motor† (2021) (7)
Matrix isolation and computational studies of the CF2I radical (2010) (7)
Ultrafast decay of electronically excited singlet cytosine via a pi,pi* to n(O),pi* state switch. (2002) (7)
Alkaloid Synthesis (2012) (7)
The role of the intersection space in the photochemistry of tricyclo[3.3.0.0(2,6)]octa-3,7-diene. (2007) (7)
A Conical Intersection Mechanism for the Photochemistry of Butadiene. A MC‐SCF Study. (1993) (7)
Recent Applications of a QM/MM scheme at the CASPT2//CASSCF/AMBER (or CHARMM) level of theory in Photochemistry and Photobiology (2008) (6)
A surface hopping algorithm for nonadiabatic minimum energy path calculations (2015) (6)
Quantum–classical simulations of rhodopsin reveal excited-state-population splitting and its effects on quantum efficiency (2022) (6)
Unimolecular and Supramolecular Electronics II: Chemistry and Physics Meet at Metal-Molecule Interfaces (2012) (6)
Vibrational coherence and quantum yield of retinal-chromophore-inspired molecular switches. (2019) (6)
A Model Study of the Mechanism of the Type B (Di-π-methane) and Lumiketone Rearrangement in Rotationally Constrained α,β-Enones (1997) (6)
A VB model of transition structure regions of the potential energy surfaces for forbidden and allowed cycloaddition reactions (1989) (6)
Bile Acid Binding Protein Functionalization Leads to a Fully Synthetic Rhodopsin Mimic. (2019) (6)
Space and Time Evolution of the Electrostatic Potential During the Activation of a Visual Pigment. (2016) (5)
Excited State Vibronic Dynamics of Bacteriorhodopsin From 2D Electronic Photon Echo Spectroscopy and Multi-Configurational Quantum Chemistry. (2020) (5)
Pro219 is an electrostatic color determinant in the light-driven sodium pump KR2 (2021) (5)
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol (2022) (5)
Computational Investigation of Photochemical Reaction Mechanisms (2006) (5)
Conical Intersections in the Theory of Organic Singlet Photochemistry (1996) (5)
On the Automatic Construction of QM/MM Models for Biological Photoreceptors: Rhodopsins as Model Systems (2020) (4)
On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor. (2021) (4)
An MC SCF study of the nucleophilic addition of OH− to ethene and formaldehyde (1988) (4)
Potential energy surfaces of cycloaddition reactions (1988) (4)
Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems. (2021) (4)
QM/MM Investigation of the Spectroscopic Properties of the Fluorophore of Bacterial Luciferase. (2021) (4)
Unlocking the Double Bond in Protonated Schiff Bases by Coherent Superposition of S1 and S2. (2021) (4)
The relationship between the nature of the critical points and the shape of the diabatic surfaces in multicenter reactions (1986) (4)
A computational study of the Dougherty model for the prediction of high-spin states in organic chemistry (1999) (4)
Adiabatic and Diabatic Surfaces in the Treatment of Chemical Reactivity II an Illustrative Application to the Diels Alder Reaction (1989) (3)
Sub-picosecond C=C bond photo-isomerization: evidence for the role of excited state mixing (2021) (3)
Computational Photochemistry and Photobiology (2012) (3)
Falling Down the Singlet Manifold. A CAS-SCF Mechanistic Study of the Far-UV Photochemistry of Hexa-1,5-dienes (1995) (3)
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin (2022) (3)
On the fluorescence enhancement of arch neuronal optogenetic reporters (2022) (3)
Quantum Dynamics of Ultrafast Photoinduced Processes in Biological Molecules (2008) (2)
The Molecular Mechanics Valence Bond Method: Electronic Structure and Semiclassical Dynamics: Applications to Problems in Photochemistry (1998) (2)
Computational and Spectroscopic Characterization of the Photocycle of an Artificial Rhodopsin. (2020) (2)
Computational methods in mechanistic and exploratory photochemistry (1999) (2)
Probing vibrationally mediated ultrafast excited-state reaction dynamics with multireference (CASPT2) trajectories. (2013) (2)
Do Supra‐Antara Paths Really Exist for 2 + 2 Cycloaddition Reactions? Analytical Computation of the MC‐SCF Hessians for Transition States of C2H4 with C2H4, Singlet O2, and Ketene. (1988) (2)
A New Mechanistic Scenario for the Photochemical Transformation of Ergosterol: An MC‐SCF and MM‐VB Study. (1993) (2)
Structure of the Conical Intersections Driving the cis—trans Photoisomerization of Conjugated Molecules (2003) (2)
Toward A Stable Alpha-cycloalkyl Amino Acid With A Photoswitchable Cationic Side Chain (2016) (1)
Towards the engineering of a photon-only two-stroke rotary molecular motor (2022) (1)
Influence of the Chemical Design on the Coherent Photoisomerization of Biomimetic Molecular Switches (2013) (1)
Design, Synthesis and Characterization of a Visible‐Light‐Sensitive Molecular Switch and Its PEGylation Towards a Self‐Assembling Molecule (2022) (1)
Validation of Recombinant Chicken Liver Bile Acid Binding Protein as a Tool for Cholic Acid Hosting (2021) (1)
Topics in Current Chemistry (2013) (1)
THE FLUORESCENCE OF THE WURSTER'S BLUE RADICAL CATION IS CONTROLLED BY A CONICAL INTERSECTION (2009) (1)
Theoretical Modelling as a Possible Tool in the Design of Photochromic Systems (2000) (1)
Nuclear dynamics investigation of the initial electron transfer in the cyclobutane pyrimidine dimer lesion repair process by photolyases (2016) (1)
Origin of the Nonstereospecificity in the Ring Opening of Alkyl- Substituted Cyclobutenes. (1992) (1)
The Role of Intersection Space Segments in Photochemical Reactions (2008) (1)
Ab Initio Investigation of Photochemical Reaction Mechanisms: From Isolated Molecules to Complex Environments (2012) (1)
Triptophan and Tyrosine radicals mediating ET processes in peroxidases and blue copper proteins (2013) (0)
Evidence for a vibrational phase isotope effect on the photochemistry of vision (2018) (0)
Structural characterization of a synthetic mimic of the Photoactive Yellow Protein (0)
Ultrafast Photoisomerization of Chiral Biomimetic Molecular Switches (2014) (0)
Coherent Torsional Motion and Isomerization Dynamics across a Conical Intersection (2010) (0)
Comparative Quantum Chemical Studies of the Ultrafast Isomerization of Microbial, Invertebrate and Vertebrate Rhodopsins (2016) (0)
Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence. (2022) (0)
Red-shifting mutation of light-driven sodium-pump rhodopsin (2019) (0)
Conical intersections and photochemical mechanisms: Characterising the conical intersection hyperline using gradients, second-derivatives, and dynamics (2004) (0)
Intrinsically Competitive Photoinduced Polycyclization and Double-Bond Shift through a Boatlike Conical Intersection This work was supported by the Università di Siena (P.A.R. 99/00), the Università di Bologna (MURST ex-60 %), NATO (CRG 950748), and HFSP (RG 0229/2000-M). (2001) (0)
Conical Intersections in Charge-Transfer Induced Quenching This work was supported by the Swiss National Science Foundation (Projects 52489.98, 54108.98, and 58000.99), the Fonds der Chemischen Industrie, the Università di Siena (Progetto di Ateneo A.A. 99/00), and NATO (CRG 950748). (2000) (0)
Using trajectories to probe the molecular mechanism of ultrafast biological photoisomerization and internal conversion (2011) (0)
ChemInform Abstract: Computer Simulation of Photoinduced Molecular Motion and Reactivity (2002) (0)
Violation of the Kasha’s rule: effect of selective vibronic excitation on the quantum yield of the electrocyclization photoreaction of chromenes. (2001) (0)
“ Doing it Right ” An interview with Josef Michl (2008) (0)
Design, synthesis and biological evaluation of light-driven on-off multitarget AChE and MAO-B inhibitors. (2022) (0)
Retinal chromophore photoinduced molecular motion and reactivity: isolated conditions and counterion effects (2002) (0)
Vibrational Excitation Initiates Biomimetic Charge-Coupled Motions in the Electronic Ground State (2020) (0)
The diabatic surface method: A model for chemical reactivity (1988) (0)
Ultrafast Isomerization Dynamics of Biomimetic Photoswitches (2009) (0)
Can a Photochemical Reaction Be Concerted? A Theoretical Study of the Photochemical Sigmatropic Rearrangement of But-1-ene. (1992) (0)
Modelling Photochemical Reactivity of Organic Systems - A New Challenge to Quantum Computational Chemistry. (1994) (0)
From Computational Photobiology to the Design of Vibrationally Coherent Molecular Devices and Motors (2014) (0)
On excited state reaction path in reversibly switchable fluorescent proteins (2017) (0)
From a one-mode to a multi-mode understanding of conical intersection mediated ultrafast organic photochemical reactions. (2023) (0)
Structure of the Conical Intersections Driving the cis–trans Photoisomerization of Conjugated Molecules ¶ (2002) (0)
Anabaena Sensory Rhodopsin: Effect of point mutations on PSBR photo-isomerization speed (2019) (0)
Ab initio MC‐SCF Study of Thermal and Photochemical (2 + 2) Cycloadditions. (1994) (0)
The Analysis of Potential Energy Surfaces in Terms of the Diabatic Surface Model (1991) (0)
Towards accurate computation in photobiology (2005) (0)
The Supra-Supra Mechanism of Forbidden and Allowed Cycloaddition Reactions: An Analysis Using a VB Model (1991) (0)
Applications of Computational Chemistry to the Modeling of Organic Reactivity in the Ground and Excited States (1996) (0)
EXCITED-STATE DYNAMICS OF SINGLE DNA AND RNA BASES IN SOLUTION (2002) (0)
Torsionally broken symmetry assists infrared excitation of biomimetic charge-coupled nuclear motions in the electronic ground state (2022) (0)
Excited State Deactivation of Indan-1-ylidene and Fluoren-9-ylidene Malononitrile‡ (2016) (0)
Cover Picture: Mechanistic Origin of the Vibrational Coherence Accompanying the Photoreaction of Biomimetic Molecular Switches (Chem. Eur. J. 48/2012) (2012) (0)
NEW PERSPECTIVES FOR "ON THE FLY" EXCITED STATE DYNAMICS: LOCAL SCALING OF THE CASSCF//CASPT2 GRADIENT IN A RHODOPSIN MODEL (2009) (0)
EPR, UV-VIS AND RR SPECTRAL PARAMETER SHIFTS OF TRYPTOPHAN RADICALSEMBEDDED IN CONTRASTING HYDROPHOBIC AND HYDROPHILIC ENVIRONMENTSCOMPUTED FROM QM/MM MODELS OF PSEUDOMONAS AERUGINOSA AZURIN (2012) (0)
Author Correction: Towards the engineering of a photon-only two-stroke rotary molecular motor (2022) (0)
Engineering the vibrational coherence of vision into a synthetic molecular device (2018) (0)
Xanthopsin‐Like Systems via Site‐Specific Click‐Functionalization of a Retinoic Acid Binding Protein (2021) (0)
Applications of computational chemistry to the modelling of organic reactivity in ground and excited states (2008) (0)
PHOTOISOMERIZATION DYNAMICS OF dMe-OMe-NAIP, A MODEL FOR THE RETINAL CHROMOPHORE (2012) (0)
Potential Energy Surfaces for Ultrafast Photochemistry: Short Chain Polyenes and Protonated Schiff Bases (1998) (0)
STRUCTURE OF THE PHOTOCHEMICAL REACTION PATHWAYS POPULATED VIA THE PROMOTION of CF$_2$I$_2$ and CH$_2$I$_2$ INTO THEIR FIRST ELECTRONICALLY EXCITED STATES (2009) (0)
Effect of Point Mutations on the Ultrafast Photo-Isomerization of Anabaena Sensory Rhodopsin (2019) (0)
THE ROLE OF CONICAL INTERSECTIONS IN PHOTOCHEMISTRY, ELECTRONIC ENERGY TRANSFER AND ELECTRON TRANSFER (2000) (0)
Bond lengths in transition structures and intermediates of cycloaddition reactions (1989) (0)
CT4OPTO BOOK OF ABSTRACTS (2021) (0)
A Strategy for Modelling of Chemical Reactivity using MC-SCF and MM-VB Methods (1992) (0)
Diabatic Surface Methods for the Study of the Reactivity of Organic Molecules. (1986) (0)
Chemical Selectivity Through Control of Excited‐State Dynamics (2008) (0)
Approximate density functional theory for complex photoreactions in biological systems (2014) (0)
Coherent photoisomerization and quantum yield of biomimetic molecular switches (2013) (0)

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What Schools Are Affiliated With Massimo Olivucci?

Massimo Olivucci is affiliated with the following schools:

University of California, Berkeley
Bowling Green State University
University of Strasbourg
University of Perugia
Wayne State University
University of Valencia
Lund University
University of Siena
University of La Rioja
University of Bologna
King's College London
King's College, Aberdeen