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Molecular Orbital Theory of the Electronic Structure of Organic Compounds IV : A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-triplet Transitions of Dioxodiazacycloalkanes

Grinberg, Horacio; Marañon, Julio; Sorarrain, Oscar M. (1982)

Molecular Orbital Theory of the Electronic Structure of Organic Compounds III : A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-Singlet Transitions of Dioxodiazacycloalkanes

Grinberg, Horacio; Sbarbati Nudelman, Norma; Marañon, Julio; Sorarrain, Oscar M.; Gómez, Carlos F. (1981)

Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules

Terrabuio, Luiz Alberto; Haiduke, Roberto Luiz Andrade (WILEY-BLACKWELLHOBOKEN, 2013-08-02)

Some atomic multipoles (charges, dipoles and quadrupoles) from the Quantum Theory of Atoms in Molecules (QTAIM) and CHELPG charges are used to investigate interactions between a proton and a molecule (F2, Cl2, BF, AlF, ...

Transition metal atoms encapsulated in adamantane molecules

Garcia, Joelson Cott; Machado, Wanda Valle Marcondes; Assali, Lucy Vitoria Credidio; Justo Filho, João Francisco (ELSEVIER SCIENCE SA, 2011)

We performed a first principles total energy investigation on the structural, electronic, and magnetic properties of 3d-transition metal-encapsulated adamantane molecules (TM@C(10)H(16). with TM = Cr, Mn, Fe, Co, and Ni). ...

Ahl signalling molecules with large acyl chain enhance biofilm 1 formation on sulfur 2 and metal sulfides by the bioleaching bacterium acidithiobacillus ferrooxidans

Autor desconocido (SPRINGER SCIENCE, 2013)

Ahl signaling molecules with a large acyl chain enhance biofilm formation on sulfur and metal sulfides by the bioleaching bacterium acidithiobacillus ferrooxidans

Autor desconocido (SPRINGER, 2013)

AHL signaling molecules with a large acyl chain enhance biofilm formation on sulfur and metal sulfides by the bioleaching bacterium Acidithiobacillus ferrooxidans

Autor desconocido (SPRINGER, 2013)

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Molecular Orbital Theory of the Electronic Structure of Organic Compounds IV : A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-triplet Transitions of Dioxodiazacycloalkanes

Molecular Orbital Theory of the Electronic Structure of Organic Compounds III : A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-Singlet Transitions of Dioxodiazacycloalkanes

Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules

Transition metal atoms encapsulated in adamantane molecules

Ahl signalling molecules with large acyl chain enhance biofilm 1 formation on sulfur 2 and metal sulfides by the bioleaching bacterium acidithiobacillus ferrooxidans

Ahl signaling molecules with a large acyl chain enhance biofilm formation on sulfur and metal sulfides by the bioleaching bacterium acidithiobacillus ferrooxidans

AHL signaling molecules with a large acyl chain enhance biofilm formation on sulfur and metal sulfides by the bioleaching bacterium Acidithiobacillus ferrooxidans

Role of the range of the dipole function in the classical dynamics of molecular dissociation

Role of the range of the dipole function in the classical dynamics of molecular dissociation

Are computational methods useful for structure elucidation of large and flexible molecules? Belizentrin as a case study

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Molecular Orbital Theory of the Electronic Structure of Organic Compounds IV : A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-triplet Transitions of Dioxodiazacycloalkanes

Molecular Orbital Theory of the Electronic Structure of Organic Compounds III : A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-Singlet Transitions of Dioxodiazacycloalkanes

Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules

Transition metal atoms encapsulated in adamantane molecules

Ahl signalling molecules with large acyl chain enhance biofilm 1 formation on sulfur 2 and metal sulfides by the bioleaching bacterium acidithiobacillus ferrooxidans

Ahl signaling molecules with a large acyl chain enhance biofilm formation on sulfur and metal sulfides by the bioleaching bacterium acidithiobacillus ferrooxidans

AHL signaling molecules with a large acyl chain enhance biofilm formation on sulfur and metal sulfides by the bioleaching bacterium Acidithiobacillus ferrooxidans

Role of the range of the dipole function in the classical dynamics of molecular dissociation

Role of the range of the dipole function in the classical dynamics of molecular dissociation

Are computational methods useful for structure elucidation of large and flexible molecules? Belizentrin as a case study