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Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9)

Journal of organic chemistry, 2005-04, Vol.70 (7), p.2509-2521

2005

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Shape and Symmetry of Heptacoordinate Transition-Metal Complexes: Structural Trends

Chemistry : a European journal, 2003-03, Vol.9 (6), p.1281-1295

2003

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Extent and limitations of density-functional theory in describing magnetic systems

Physical review. B, Condensed matter and materials physics, 2004, Vol.70 (13), p.132414.1-132414.4, Article 132414

2004

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Local Aromaticity of the Lowest-Lying Singlet States of [n]Acenes (n = 6−9)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-12, Vol.109 (47), p.10629-10632

2005

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Role of Electron Density and Magnetic Couplings on the Nucleus-Independent Chemical Shift (NICS) Profiles of [2.2]Paracyclophane and Related Species

Journal of organic chemistry, 2006-02, Vol.71 (4), p.1700-1702

2006

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Mechanism of the Hydrogen Transfer from the OH Group to Oxygen-Centered Radicals: Proton-Coupled Electron-Transfer versus Radical Hydrogen Abstraction

Chemistry : a European journal, 2004-07, Vol.10 (14), p.3404-3410

2004

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The reaction path intrinsic reaction coordinate method and the Hamilton-Jacobi theory

The Journal of chemical physics, 2005-06, Vol.122 (23), p.234105-234105

2005

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Atmospheric Formation of OH Radicals and H2O2 from Alkene Ozonolysis under Humid Conditions

Chemphyschem, 2002-02, Vol.3 (2), p.215-221

2002

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Point-Dipole Approximation of the Exciton Coupling Model Versus Type of Bonding and of Excitons in Porphyrin Supramolecular Structures

Chemistry : a European journal, 2001-07, Vol.7 (13), p.2733-2737

2001

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Finding transition states using reduced potential-energy surfaces

Theoretical chemistry accounts, 2001-05, Vol.105 (6), p.463-472

2001

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Updated Hessian matrix and the restricted step method for locating transition structures

Journal of computational chemistry, 1994-01, Vol.15 (1), p.1-11

Bofill, Josep Maria

1994

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Reaction Modes of Carbonyl Oxide, Dioxirane, and Methylenebis(oxy) with Ethylene: A New Reaction Mechanism

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-04, Vol.106 (15), p.3917-3929

2002

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A new look at the reduced-gradient-following path

Theoretical chemistry accounts, 2002-03, Vol.107 (3), p.130-139

2002

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Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9)

Journal of organic chemistry, 2005-05, Vol.70 (11), p.4560-4560

2005

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Unimolecular Isomerizations and Oxygen Atom Loss in Formaldehyde and Acetaldehyde Carbonyl Oxides. A Theoretical Investigation

Journal of the American Chemical Society, 1996-05, Vol.118 (19), p.4636-4647

1996

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On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states

Journal of computational chemistry, 2001-03, Vol.22 (4), p.387-406

2001

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Inductive Effects in Neutral Pentacoordinated Silicon Compounds Containing a Si ← N Dative Bond. A Theoretical Study

Organometallics, 1999-12, Vol.18 (26), p.5584-5593

1999

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A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces

Journal of computational chemistry, 1997-06, Vol.18 (8), p.992-1003

1997

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Remarks on the updated Hessian matrix methods

International journal of quantum chemistry, 2003, Vol.94 (6), p.324-332

Bofill, Josep Maria

2003

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Inelastic electronic excitation and electron transfer processes in collisions between Mg ( 3 S 0 1 ) atoms and K + ( S 0 1 ) ions studied by crossed beams in the 0.10-3.80-keV energy range

The Journal of chemical physics, 2005-09, Vol.123 (12), p.124314-124314-13

2005

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Theoretical Prediction of Benzyne-Like Species in Pyrene Diradicals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-06, Vol.108 (23), p.5111-5116

2004

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A reaction path–Liouville approach to the rate constant for polyatomic chemical reactions

Physical chemistry chemical physics : PCCP, 2002-06, Vol.4 (13), p.2921-2926

2002

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A reaction path Hamiltonian defined on a Newton path

The Journal of chemical physics, 2002-05, Vol.116 (20), p.8713-8722

2002

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A Bohmian total potential view to quantum effects. I. Methodology and simple model systems

The Journal of chemical physics, 2004-06, Vol.120 (23), p.10961-10971

2004

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Studies on the Intramolecular C−H···X (X = O, S) Interactions in (S)-N-Acyl- 4-isopropyl-1,3-thiazolidine-2-thiones and Related 1,3-Oxazolidin-2-ones

Organic letters, 2003-08, Vol.5 (16), p.2809-2812

2003

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Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9)

Shape and Symmetry of Heptacoordinate Transition-Metal Complexes: Structural Trends

Extent and limitations of density-functional theory in describing magnetic systems

Local Aromaticity of the Lowest-Lying Singlet States of [n]Acenes (n = 6−9)

Role of Electron Density and Magnetic Couplings on the Nucleus-Independent Chemical Shift (NICS) Profiles of [2.2]Paracyclophane and Related Species

Mechanism of the Hydrogen Transfer from the OH Group to Oxygen-Centered Radicals: Proton-Coupled Electron-Transfer versus Radical Hydrogen Abstraction

The reaction path intrinsic reaction coordinate method and the Hamilton-Jacobi theory

Atmospheric Formation of OH Radicals and H2O2 from Alkene Ozonolysis under Humid Conditions

Point-Dipole Approximation of the Exciton Coupling Model Versus Type of Bonding and of Excitons in Porphyrin Supramolecular Structures

Finding transition states using reduced potential-energy surfaces

Updated Hessian matrix and the restricted step method for locating transition structures

Reaction Modes of Carbonyl Oxide, Dioxirane, and Methylenebis(oxy) with Ethylene: A New Reaction Mechanism

A new look at the reduced-gradient-following path

Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9)

Unimolecular Isomerizations and Oxygen Atom Loss in Formaldehyde and Acetaldehyde Carbonyl Oxides. A Theoretical Investigation

On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states

Inductive Effects in Neutral Pentacoordinated Silicon Compounds Containing a Si ← N Dative Bond. A Theoretical Study

A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces

Remarks on the updated Hessian matrix methods

Inelastic electronic excitation and electron transfer processes in collisions between Mg ( 3 S 0 1 ) atoms and K + ( S 0 1 ) ions studied by crossed beams in the 0.10-3.80-keV energy range

Theoretical Prediction of Benzyne-Like Species in Pyrene Diradicals

A reaction path–Liouville approach to the rate constant for polyatomic chemical reactions

A reaction path Hamiltonian defined on a Newton path

A Bohmian total potential view to quantum effects. I. Methodology and simple model systems

Studies on the Intramolecular C−H···X (X = O, S) Interactions in (S)-N-Acyl- 4-isopropyl-1,3-thiazolidine-2-thiones and Related 1,3-Oxazolidin-2-ones

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