Miquel Moreno Ferrer

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2026

Exploring the photodynamical landscape of biomimetic lumichrome–ephedrine-class amine complexes across femtosecond to millisecond regimes — Commun Chem 2026

2024

Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies — ACS Omega 2024, 9, 41968-41977

2023

Three-Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo — Angew. Chem. Int. Ed. 2023, 62, e202311181

Three‐Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo — Angewandte Chemie 2023, 135, e202311181

2022

Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches — IJMS 2022, 24, 25

On the Computational Design of Azobenzene-Based Multi-State Photoswitches — IJMS 2022, 23, 8690

2021

Deciphering the behavior of a new MOF and its composites under light at ensemble and single crystal levels: relevance to its photonic applications — J. Mater. Chem. C 2021, 9, 6418-6435

2020

Shape-Persistent Phenylene-Ethynylene Macrocycles Spectroscopy and Dynamics: From Molecules to the Hydrogen-Bonded Organic Framework Material — J. Phys. Chem. C 2020, 124, 6938-6951

2019

Rationally designed azobenzene photoswitches for efficient two-photon neuronal excitation — Nat Commun 2019, 10, 907

Deciphering the grounds of the suitability of acylhydrazones as efficient photoswitches — Phys. Chem. Chem. Phys. 2019, 21, 16075-16082

Optical characterization of a two-dimensional BODIPY-based polymer material and its related chromophores — J. Mater. Chem. C 2019, 7, 7872-7884

Spectroscopy and dynamics of a HOF and its molecular units: remarkable vapor acid sensing — J. Mater. Chem. C 2019, 7, 10818-10832

2018

Ultrafast action chemistry in slow motion: atomistic description of the excitation and fluorescence processes in an archetypal fluorescent protein — Phys. Chem. Chem. Phys. 2018, 20, 11067-11080

Experimental and theoretical insights into the influence of electronic density on proton-transfer reactions — Phys. Chem. Chem. Phys. 2018, 20, 27149-27161

From 4-nitrotoluene and 4,4′-dinitrobibenzyl to E-4,4′-dinitrostilbene: an electrochemical approach — New J. Chem. 2018, 42, 7005-7015

Spectroscopy and dynamics of dehydrobenzo[12]annulene derivatives possessing peripheral carboxyphenyl groups: theory and experiment — Phys. Chem. Chem. Phys. 2018, 20, 7415-7427

2016

Chromophore interactions leading to different absorption spectra in mNeptune1 and mCardinal red fluorescent proteins — Phys. Chem. Chem. Phys. 2016, 18, 16964-16976

The Quest for Photoswitches Activated by Near-Infrared Light: A Theoretical Study of the Photochemistry of BF2-Coordinated Azo Derivatives — ChemPhysChem 2016, 17, 2824-2838

2015

Molecular modelling of the pH influence in the geometry and the absorbance spectrum of near-infrared TagRFP675 fluorescent protein — Phys. Chem. Chem. Phys. 2015, 17, 29363-29373

Transient low-barrier hydrogen bond in the photoactive state of green fluorescent protein — Phys. Chem. Chem. Phys. 2015, 17, 30876-30888

Unveiling How an Archetypal Fluorescent Protein Operates: Theoretical Perspective on the Ultrafast Excited State Dynamics of GFP Variant 565T/H148D — J. Phys. Chem. B 2015, 119, 2274-2291

Direct observation of breaking the intramolecular H-bond, slowing down the proton motion and tuning its mechanism in an HBO derivative. — Physical Chemistry Chemical Physics 2015

Theoretical computer-aided mutagenic study on the triple green fluorescent mutant S65T/H148D/Y145Ft — chemphyschem 2015

2014

Are There Really Low-Barrier Hydrogen Bonds in Proteins? The Case of Photoactive Yellow Protein — J. Am. Chem. Soc. 2014, 136, 3542-3552

New insights into the structure-spectrum relationship in S65T/H148D and E222Q/H148D green fluorescent protein mutants: a theoretical assessment — Org. Biomol. Chem. 2014, 12, 9845-9852

2013

A theoretical study of the photochemistry of indigo in its neutral and dianionic (leucoindigo) forms — Phys. Chem. Chem. Phys. 2013, 15, 20236

A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein — Theor Chem Acc 2013, 132, 1327

How Does the Environment Affect the Absorption Spectrum of the Fluorescent Protein mKeima? — J. Chem. Theory Comput. 2013, 9, 1731-1742

Experimental and theoretical evidence of unsupported Ag-Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents — New J. Chem. 2013, 37, 3183

2012

Peek at the Potential Energy Surfaces of the LSSmKate1 and LSSmKate2 Proteins — J. Phys. Chem. B 2012, 116, 14302-14310

Bidirectional Redox Molecular Switches: Electron-induced Cyclization and Cycloreversion Processes in Metacyclophanes — Chemistry A European J 2012, 18, 9807-9812

Experimental and Computational Evidence for the Participation of Nonclassical Dihydrogen Species in Proton Transfer Processes on Ru-Arene Complexes with Uncoordinated N Centers. Efficient Catalytic Deuterium Labeling of H-2 with CD3OD — Organometallics 2012, 31, 3087-3100

2011

A method to compute probability current in generic coordinates — The Journal of Chemical Physics 2011, 134, 074115

A variational transition state theory description of periselectivity effects on cycloadditions of ketenes with cyclopentadiene — Theor Chem Acc 2011, 128, 569-577

Photo-deactivation pathways of a double H-bonded photochromic Schiff base investigated by combined theoretical calculations and experimental time-resolved studies — Phys. Chem. Chem. Phys. 2011, 13, 14960

2010

Bipyridyl Derivatives as Photomemory Devices: A Comparative Electronic-Structure Study — Chemistry A European J 2010, 16, 6693-6703

Modulating the Photochemistry of Bipyridylic Compounds by Symmetric Substitutions — ChemPhysChem 2010, 11, 3696-3703

First Examples of a Modulated Bridging mu(2)-1:2 kappa N-Triazine in Double Helical Silver Compounds. Experimental and Theoretical Evidence — Inorg. Chem. 2010, 49, 3828-3835

2009

A Theoretical Assessment of Factors Causing Different Molecular Volumes in Isotopologues — J. Phys. Chem. A 2009, 113, 14161-14169

2008

A potential energy function for heterogeneous proton-wires. Ground end photoactive states of the proton-wire in the green fluorescent protein — J. Chem. Theory Comput. 2008, 4, 1138-1150

Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline — The Journal of Chemical Physics 2008, 129, 214308

Exploring the Effects of Intramolecular Vibrational Energy Redistribution on the Operation of the Proton Wire in Green Fluorescent Protein — J. Phys. Chem. B 2008, 112, 13443-13452

Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation — J. Phys. Chem. B 2008, 112, 5500-5511

Study of the photochemical properties and conical intersections of [2,2′-bipyridyl]-3-amine-3′-ol — ChemPhysChem 2008, 9, 2068-2076

2007

A comparative study on the photochemistry of two bipyridyl derivatives: [2,2 ‘-bipyridyl]-3,3 ‘-diamine and [2,2 ‘-bipyridyl]-3,3 ‘-diol — ChemPhysChem 2007, 8, 1199-1206

Electronic and quantum dynamical insight into the ultrafast proton transfer of 1-hydroxy-2-acetonaphthone — The Journal of Chemical Physics 2007, 127, 084318

Secondary kinetic isotope effect on the photoenolization of triplet O-methylanthrones. A microcanonical transition state theory calculation — J. Phys. Chem. A 2007, 111, 10090-10097

2006

Charge-transfer pi pi* excited state in the 7-azaindole dimer. A hybrid configuration interactions singles/time-dependent density functional theory description — J. Phys. Chem. A 2006, 110, 1145-1151

Molecular modeling of the kinetic isotope effect on the intramolecular hydrogen atom transfer in triplet 6,9-dimethylbenzosuberone — Chemical Physics 2006, 328, 410-420

On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state: A theoretical study — Chemical Physics 2006, 325, 243-250

Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: Classical molecular dynamics and multiconfigurational electronic structure calculations — J. Am. Chem. Soc. 2006, 128, 3564-3574

Theoretical study on the excited-state intramolecular proton transfer in the aromatic Schiff base salicylidene methylamine: an electronic structure and quantum dynamical approach — J. Phys. Chem. A 2006, 110, 4649-4656

2005

Determination of the temperature dependence of the H-D spin-spin coupling constant and the isotope effect on the proton chemical shift for the compressed dihydride complex [Cp*Ir(P-P)H-2](2+) — J. Am. Chem. Soc. 2005, 127, 5632-5640

Elongated dihydrogen versus compressed dihydride complexes: The temperature dependence of the H-D spin-spin coupling constant as a criterion to distinguish between them — Chemistry A European J 2005, 11, 6315-6325

On the planarity of the tropolone molecule in the A(similar to 1)B(2) excited state: A time dependent DFT geometry optimisation — Chemical Physics Letters 2005, 405, 187-192

Theoretical study of the photoinduced intramolecular proton transfer and rotational processes in 2-(2 ‘ hydroxyphenyl)-4-methyloxazole in gas phase and embedded in beta-cyclodextrin — Journal of Photochemistry and Photobiology A: Chemistry 2005, 173, 365-374

Facile Ru-H-2 heterolytic activation and intramolecular proton transfer assisted by basic N-centers in the ligands — J. Am. Chem. Soc. 2005, 127, 15364-15365

Theoretical, dynamic, and structural studies of the phenyl rotation in bispentafluorophenyl palladium complexes with scorpion-type ligands — Can. J. Chem. 2005, 83, 2106-2119

2004

Fast hydrogen elimination from the [Ru(PH3)(3)(CO)(H)(2)] and [Ru(PH3)(4)(H)(2)] complexes in the first singlet excited states: A diabatic quantum dynamics study — The Journal of Chemical Physics 2004, 121, 6258-6267

Ground and excited state hydrogen atom transfer reactions and cyclization of 2-acetylbenzoic acid — J. Phys. Chem. A 2004, 108, 9331-9341

Kinetic isotope effect on the photoenolization of o-methylanthrone. A microcanonical transition state theory calculation — J. Phys. Chem. A 2004, 108, 4536-4541

Molecular dynamics of excited state intramolecular proton transfer: 2-(2 ‘-hydroxyphenyl)-4-methyloxazole in gas phase, solution, and protein environments — J. Phys. Chem. B 2004, 108, 6616-6623

Photoinduced proton transfer from the green fluorescent protein chromophore to a water molecule: analysis of the transfer coordinate — Chemical Physics Letters 2004, 396, 202-207

Quantum dynamics study of the excited-state double-proton transfer in 2,2 ‘-bipyridyl-3,3 ‘-diol — ChemPhysChem 2004, 5, 1372-1378

Synthesis and properties of compressed dihydride complexes of iridium: Theoretical and spectroscopic investigations — J. Am. Chem. Soc. 2004, 126, 8813-8822

Testing electronic structure methods for describing intermolecular H center dot center dot center dot H interactions in supramolecular chemistry — J Comput Chem 2004, 25, 99-105

Variational transition state theory as a tool to determine kinetic selectivity in reactions involving a valley-ridge inflection point — J. Am. Chem. Soc. 2004, 126, 13089-13094

2003

A theoretical study of the ground and first excited singlet state proton transfer reaction in isolated 7-azaindole-water complexes — Chemical Physics 2003, 290, 319-336

Fast hydrogen elimination from the [Ru(PH3)(3)(CO)(H)(2)] complex in the first singlet excited states. A quantum dynamics study — Chemical Physics 2003, 286, 149-163

2002

A combined nuclear dynamics and electronic study of the coupling between the internal rotation of the methyl group and the intramolecular proton transfer in 5-methyltropolone — Journal of Chemical Physics 2002

Semiclassical initial value representation description of molecular structure problems: An elongated dihydrogen ruthenium complex — The Journal of Chemical Physics 2002, 117, 7094-7101

The photoinduced intramolecular proton transfer in 2-(2 ‘-hydroxyphonyl)-4-methyloxazole embedded in beta-cyclodextrin — Chemical Physics Letters 2002, 356, 423-430

2001

A discrete variable representation study of the dynamics of the double proton transfer in bicyclic oxalamidines — Chemical Physics Letters 2001, 340, 591-596

Ab initio based exploration of the potential energy surface for the double proton transfer in the first excited singlet electronic state of the 7-azaindole dimer — J. Phys. Chem. A 2001, 105, 3887-3893

Equilibrium isotope effect for the W(CO)(3)(PCy3)(2)(H)(2)/W(Co)(3)(PCy3)(2)(eta(2)-H-2) tautomeric equilibrium: A nuclear dynamics variable representation study — J. Phys. Chem. A 2001, 105, 4676-4681

Quantum mechanical phenomena in dihydrogen and polyhydride transition metal systems: a unified view — Recent Advances in Hydride Chemistry 2001, 419-461

Evidence for a transition between singlet and triplet states in the electrochemical reduction of 2,2 ‘-4,4 ‘-tetranitrobiphenyl — ChemPhysChem 2001, 2, 754

Reply to «Photoinduced proton transfer and rotational motion of 1-hydroxy-2-acetonaphthone in the S-1 state: A theoretical insight into its photophysics» (J. Phys. Chem. A 2000, 104, 8424) — J. Phys. Chem. A 2001, 105, 7317-7320

2000

A theoretical insight into the internal H-bond and related rotational motion and proton transfer processes of 1-hydroxy-2-acetonaphthone in the S-0 state — Chemical Physics Letters 2000, 328, 83-89

Nuclear dynamics discrete variable representation study of the equilibrium isotope effect on H-2 binding in M(eta(2)-H-2)L-n complexes: An effective theoretical way to account for anharmonicity — J. Phys. Chem. A 2000, 104, 7898-7905

On the experimental evidences for 7-azaindole base-pair model ultrafast phototautomerization — Chemical Physics Letters 2000, 324, 81-87

On the theoretical reports on 7-azaindole base-pair phototautomerization — Chemical Physics Letters 2000, 324, 75-80

Photoinduced proton transfer and rotational motion of 1-hydroxy-2-acetonaphthone in the S-1 state: A theoretical insight into its photophysics — J. Phys. Chem. A 2000, 104, 8424-8431

Structure and dynamics of [Nb(eta(C5H4SiMe3)-C-5)(2)(eta(2)-H2BR2)] (R-2 = O2C6H4, C8H14, H-2) complexes. A combined experimental and theoretical study — Organometallics 2000, 19, 3654-3663

1999

Theoretical study of the effect of Lewis acids on dihydrogen elimination from niobocene trihydrides — Chem. Eur. J. 1999, 5, 1166-1171

A DVR analysis of some vibrational modes in the elongated dihydrogen complex [Ru(eta(2)-H-2)(C5H5)(H2PCH2PH2)](+) — Chemical Physics 1999, 241, 155-166

DNA mutations induced by proton and charge transfer in the low-lying excited singlet electronic states of the DNA base pairs: A theoretical insight — J. Phys. Chem. A 1999, 103, 6251-6256

Effect of deuteration on the fluorescence excitation spectrum of tropolone: a theoretical study — Chemical Physics 1999, 246, 103-113

Proton-transfer reaction in isolated and water-complexed 8-hydroxyimidazo[1,2-a]pyridine in the S-0 and S-1 electronic states. A theoretical study — J. Phys. Chem. A 1999, 103, 5301-5306

1998

A theoretical study of the isotope effects on the fluorescence excitation spectrum of 5-aminotropolone — The Journal of Chemical Physics 1998, 108, 8114-8122

Effect of the spinning motion of the dihydrogen ligand on the properties of an elongated dihydrogen complex. A theoretical study of the trans-[Os(H center dot center dot center dot H)C1(H2PCH2CH2PH2)(2)](+) complex — J. Am. Chem. Soc. 1998, 120, 8168-8176

On the localization of the electronic excitation in supramolecules built up by equivalent units linked by hydrogen bonds — Chemical Physics 1998, 228, 1-7

On the unexpected isotope effect on the exchange coupling constant in partially deuterated transition-metal trihydride complexes — Ber Bunsenges Phys Chem 1998, 102, 354-358

Temperature dependence of proton NMR chemical shift as a criterion to identify low-barrier hydrogen bonds — J. Am. Chem. Soc. 1998, 120, 10203-10209

Theoretical study of the effect of a Lewis acid on hydrogen exchange coupling in a trihydride metallocene: The Cp2NbH3.AlH3 system — Inorg. Chem. 1998, 37, 2334-2339

1997

Dihydrogen formation in a trihydride metallocene and its elimination, both assisted by Lewis acids: The [Cp(2)NbH(3)]+BH3 system — Angew. Chem. Int. Ed. Engl. 1997, 36, 265-266

Elongated dihydrogen complexes: A combined electronic DFT plus nuclear dynamics study of the [Ru(H center dot center dot center dot H)(C5H5)(H2PCH2PH2)](+) complex — J. Am. Chem. Soc. 1997, 119, 9840-9847

Is an extremely low-field proton signal in the NMR spectrum conclusive evidence for a low-barrier hydrogen bond? — J. Phys. Chem. A 1997, 101, 8727-8733

Isotope effects on the reaction of proton transfer to benzene anions in ethanol — Can. J. Chem. 1997, 75, 1229-1233

On the photoisomerization of 5-hydroxytropolone: An ab initio and nuclear wave function study — The Journal of Chemical Physics 1997, 107, 6275-6282

Structure and dynamics of LRh»H-4» (L=Cp, Tp) systems. A theoretical study — Organometallics 1997, 16, 3805-3814

Synthesis and spectroscopic properties of dihydrogen isocyanide niobocene [Nb(eta(5)-C5H4SiMe3)(2)(eta(2)-H-2)(CNR)](+) complexes. Experimental and theoretical study of the blocked rotation of a coordinated dihydrogen — J. Am. Chem. Soc. 1997, 119, 6107-6114

1996

H-atom transfer and rotational processes in the ground and first singlet excited electronic states of 2-(2′-hydroxyphenyl)oxazole derivatives: Experimental and theoretical studies — J. Phys. Chem. 1996, 100, 19789-19794

Theoretical study of molecular dynamics in model base pairs — Chemical Physics Letters 1996, 256, 370-376

Theoretical study of the hydrogen exchange coupling in the metallocene trihydride complexes [(C5H5)(2)MH(3)](n+) (M=Mo, W, n=1; M=Nb, Ta, n=0) — J. Am. Chem. Soc. 1996, 118, 4617-4621

Tunnelling paths for proton transfer reactions in solution. A discussion over a simplified model — Journal of Molecular Structure: THEOCHEM 1996, 371, 161-169

alpha-bond cleavage upon electronic excitation of acetyl chloride – Study of CI single surfaces by full geometry optimization — J. Chem. Soc., Faraday Trans. 1996, 92, 373-375

Are anion radicals nucleophiles and/or outersphere electron donors? An ab initio study of the reaction of ethylene and formaldehyde anion radicals with methyl fluoride and chloride — J. Am. Chem. Soc. 1996, 118, 5737-5744

1995

BIDIMENSIONAL TUNNELING SPLITTING IN THE (A)OVER-TILDE(1)B(2) AND (X)OVER-TILDE(1)A(1) STATES OF TROPOLONE — The Journal of Chemical Physics 1995, 103, 353-359

QUANTUM-MECHANICAL HYDROGEN-EXCHANGE COUPLING IN [(C2H5)IR(L)H-3](+) COMPLEXES (L=PH3, CO) – A COMBINED AB-INITIO TUNNELING DYNAMICS STUDY — J. Am. Chem. Soc. 1995, 117, 1069-1075

TOPOLOGICALLY CONTROLLED COULOMBIC INTERACTIONS, A NEW TOOL IN THE DEVELOPING OF NOVEL REACTIVITY – PHOTOCHEMICAL AND ELECTROCHEMICAL CLEAVAGE OF PHENYL ALKYL ETHERS — J. Org. Chem. 1995, 60, 3814-3825

1994

APPLICABILITY OF THE WKB METHOD IN ASYMMETRIC DOUBLE WELLS WITH DEGENERATE AND NONDEGENERATE MINIMA — J Comput Chem 1994, 15, 125-131

INTRAMOLECULAR HYDROGEN-BONDING IN PRIMARY HYDROXYL OF THYMINE 1-(1-DEOXY-BETA-D-PSICOFURANOSYL) NUCLEOSIDE — Tetrahedron 1994, 50, 6689-6694

THE ANOMALOUS ISOTOPE EFFECT FOR THE ADDITION OF PROTIUM AND MUONIUM TO PYRAZINE – A THEORETICAL-STUDY — J. Phys. Chem. 1994, 98, 7858-7861

1993

A CL-ALL-SINGLE-EXCITATIONS STUDY OF NORRISH TYPE-I PROCESS IN ACETYL-CHLORIDE — J. Phys. Chem. 1993, 97, 12186-12188

AB-INITIO CALCULATIONS OF THE QUANTUM-MECHANICAL HYDROGEN-EXCHANGE COUPLING IN THE [(C5H5)IR(PH3)H3]+ COMPLEX — J. Am. Chem. Soc. 1993, 115, 5861-5862

1992

A SEMICLASSICAL SIMULATION FOR TUNNELING DYNAMICS OF MALONALDEHYDE AND HYDROGENOXALATE ANION — Chemical Physics 1992, 159, 99-107

ABINITIO STUDY OF THE NH3+OH REACTION — Chemical Physics 1992, 165, 41-46

ABINITIO STUDY ON THE EFFECT OF ATTACHING A HYDROGEN MOLECULE TO THE (H5O2)+ ION CLUSTER — The Journal of Chemical Physics 1992, 97, 6469-6471

INTRAMOLECULAR HYDROGEN-BONDING IN RIBONUCLEOSIDE SUGAR HYDROXYLS – AN ABINITIO STUDY — Can. J. Chem. 1992, 70, 1640-1644

THE ROLE OF COUPLING IN INTRAMOLECULAR PROTON-TRANSFER REACTIONS – THE HYDROGEN OXALATE ANION AS AN EXAMPLE — Can. J. Chem. 1992, 70, 100-106

THE USE OF OPTIMIZED TUNNELING PATHS WITHIN A MODEL BASED ON CLASSICAL TRAJECTORIES — Chemical Physics Letters 1992, 196, 73-78

TUNNELING DYNAMICS IN ISOTOPICALLY SUBSTITUTED MALONALDEHYDE – COMPARISON BETWEEN SYMMETRICAL AND ASYMMETRIC SPECIES — J. Am. Chem. Soc. 1992, 114, 2072-2076

DISSOCIATIVE ELECTRON-TRANSFER – ABINITIO STUDY OF THE CARBON HALOGEN BOND REDUCTIVE CLEAVAGE IN METHYL AND PERFLUOROMETHYL HALIDES – ROLE OF THE SOLVENT — J. Am. Chem. Soc. 1992, 114, 9576-9583

1991

THEORETICAL-STUDY OF THE OXIDATION MECHANISM OF AROMATIC-AMINES — J. Chem. Soc., Perkin Trans. 2 1991, 1437-1443

1990

BIDIMENSIONAL TUNNELING DYNAMICS OF MALONALDEHYDE AND HYDROGENOXALATE ANION – A COMPARATIVE-STUDY — The Journal of Chemical Physics 1990, 93, 5685-5692

CANONICAL VARIATIONAL TRANSITION-STATE COMPARATIVE-STUDY FOR LI+ + H2O-][LI.(H2O)]+, NA+ + H2O-][NAT.(H2O)]+, K+ + H2O-][K+.(H2O)]+ ASSOCIATION REACTIONS — J. Chem. Soc., Faraday Trans. 1990, 86, 241-245

COMPARISON BETWEEN INTRAMOLECULAR PROTON TRANSFERS INVOLVING THE CARBOXYLATE AND ALKOXIDE GROUPS — Chemical Physics 1990, 148, 77-83

ON THE TAUTOMERIZATION REACTION 2-PYRIDONE-REVERSIBLE-2-HYDROXYPYRIDINE – AN ABINITIO STUDY — Chemical Physics Letters 1990, 171, 475-479

1989

INTRINSIC REACTION COORDINATE CALCULATIONS FOR REACTION PATHS POSSESSING BRANCHING POINTS — Chemical Physics Letters 1989, 160, 543-548

A MOLECULAR-ORBITAL STUDY OF PHENYLCARBENE AND DIPHENYLCARBENE — J. Org. Chem. 1989, 54, 5487-5491

ELECTRONIC REDUCTION OF HALOAROMATIC COMPOUNDS – A THEORETICAL-STUDY — J. Chem. Soc., Perkin Trans. 2 1989, 2017-2021

1988

REACTIONS OF SINGLET AND TRIPLET METHYLENE WITH A C-H BOND OF ETHYLENE – AN ABINITIO STUDY — J. Phys. Chem. 1988, 92, 4180-4184

THE REACTIVITY OF TRIPLET CARBENES – AN ABINITIO STUDY — Theochem-Journal of Molecular Structure 1988

1987

THE EFFECT OF ELECTRON-PAIR DONOR SOLVENTS ON METHYLENE REACTIVITY — Can. J. Chem. 1987, 65, 2774-2778

ON THE ELECTROREDUCTION MECHANISM OF HALOBENZENES .1. A QUANTUM CHEMICAL APPROACH — Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 1987, 219, 197-208

1986

THEORETICAL-STUDY OF THE DEPENDENCE ON SUBSTRATE OF THE REACTIVITY OF CARBENES — J. Chem. Soc., Perkin Trans. 2 1986, 183

1985

THE LOCATION OF TRANSITION-STATES FOR THE ADDITION OF SINGLET METHYLENE TO SUBSTITUTED ETHYLENES — J. Chem. Soc., Perkin Trans. 2 1985, 131-134

THE REACTIVITY OF SINGLET CARBENES – AN ABINITIO STUDY — Chemical Physics 1985, 100, 33-37

1984

THE MECHANISM OF THE METHYLENE ADDITION TO ETHYLENE — Journal of Molecular Structure: THEOCHEM 1984, 107, 227-232