Regioselectivity and Nucleophilic Control in the Cyclopropane Ring Opening of Duocarmycin SA Derivatives under Neutral and Acid Conditions:  A Quantum Mechanical Study in the Gas Phase and in Solution

Paola Cimino; Luigi Gomez-Paloma; Vincenzo Barone

doi:10.1021/jo049178k

Regioselectivity and Nucleophilic Control in the Cyclopropane Ring Opening of Duocarmycin SA Derivatives under Neutral and Acid Conditions: A Quantum Mechanical Study in the Gas Phase and in Solution

The Journal of Organic Chemistry ◽

10.1021/jo049178k ◽

2004 ◽

Vol 69 (22) ◽

pp. 7414-7422 ◽

Cited By ~ 5

Author(s):

Paola Cimino ◽

Luigi Gomez-Paloma ◽

Vincenzo Barone

Keyword(s):

Gas Phase ◽

Ring Opening ◽

Cyclopropane Ring ◽

Quantum Mechanical ◽

Mechanical Study ◽

Duocarmycin Sa ◽

Quantum Mechanical Study

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Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution

The Journal of Organic Chemistry ◽

10.1021/jo0303517 ◽

2004 ◽

Vol 69 (8) ◽

pp. 2816-2824 ◽

Cited By ~ 8

Author(s):

P. Cimino ◽

R. Improta ◽

G. Bifulco ◽

R. Riccio ◽

L. Gomez-Paloma ◽

...

Keyword(s):

Gas Phase ◽

Ring Opening ◽

Cyclopropane Ring ◽

Quantum Mechanical ◽

Mechanical Study ◽

Duocarmycin Sa ◽

Quantum Mechanical Study

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Quantum Mechanical Study of the Gas-Phase Reactions between a Series of Substituted Singlet Carbenes and Water

The Journal of Physical Chemistry A ◽

10.1021/jp811255p ◽

2009 ◽

Vol 113 (23) ◽

pp. 6517-6523 ◽

Cited By ~ 11

Author(s):

Juán F. Orrego ◽

Herminsul Cano ◽

Albeiro Restrepo

Keyword(s):

Gas Phase ◽

Quantum Mechanical ◽

Gas Phase Reactions ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Singlet Carbenes

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Absorption and Fluorescence Spectra of Uracil in the Gas Phase and in Aqueous Solution: A TD-DFT Quantum Mechanical Study

Journal of the American Chemical Society ◽

10.1021/ja0460561 ◽

2004 ◽

Vol 126 (44) ◽

pp. 14320-14321 ◽

Cited By ~ 136

Author(s):

Roberto Improta ◽

Vincenzo Barone

Keyword(s):

Aqueous Solution ◽

Gas Phase ◽

Fluorescence Spectra ◽

Quantum Mechanical ◽

Absorption And Fluorescence Spectra ◽

Mechanical Study ◽

Td Dft ◽

Quantum Mechanical Study

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Acid/base properties of flavonoids hydroxylated at positions 2 and 3: a novel quantum mechanical study in gas-phase and solution

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00407-8 ◽

2000 ◽

Vol 528 (1-3) ◽

pp. 65-73 ◽

Cited By ~ 10

Author(s):

C Alemán

Keyword(s):

Gas Phase ◽

Quantum Mechanical ◽

Acid Base ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Base Properties

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Quantum mechanical study of the structure and spectroscopic characterisation of the novel trisilylsilylcyanide and trigermylgermylcyanide in the gas phase

Polyhedron ◽

10.1016/j.poly.2009.12.010 ◽

2010 ◽

Vol 29 (3) ◽

pp. 1168-1174 ◽

Cited By ~ 1

Author(s):

L. Rhyman ◽

Hassan H. Abdallah ◽

P. Ramasami

Keyword(s):

Gas Phase ◽

Quantum Mechanical ◽

The Novel ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Spectroscopic Characterisation

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Quantum mechanical study of the kinetics, mechanisms and thermodynamics of the gas-phase decomposition of Pb[(iPr)2PSSe]2 single-source precursor

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2015.04.013 ◽

2015 ◽

Vol 787 ◽

pp. 33-43 ◽

Cited By ~ 2

Author(s):

Francis Opoku ◽

Noah Kyame Asare-Donkor ◽

Anthony Apeke Adimado

Keyword(s):

Gas Phase ◽

Quantum Mechanical ◽

Phase Decomposition ◽

Single Source ◽

Mechanical Study ◽

Single Source Precursor ◽

Quantum Mechanical Study

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QUANTUM-MECHANICAL STUDY OF FRICTION IN NANOCONTACTS

Nanoscience and Technology An International Journal ◽

10.1615/nanoscitechnolintj.v8.i3.60 ◽

2017 ◽

Vol 8 (3) ◽

pp. 231-241

Author(s):

V. G. Zavodinsky ◽

O. I. Kaminsky

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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Geometry, tautomerism and non-covalent interaction of the bentiromide with carbon-nanotube and γ-Fe2O3 nanoparticles: A quantum mechanical study

Журнал структурной химии ◽

10.26902/jsc_id38794 ◽

2019 ◽

Vol 60 (1) ◽

Keyword(s):

Carbon Nanotube ◽

Quantum Mechanical ◽

Fe2o3 Nanoparticles ◽

Covalent Interaction ◽

Mechanical Study ◽

Quantum Mechanical Study

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Scaled quantum mechanical study of 2,6-difluorophenol: a fluorine-containing weak hydrogen-bonded system

Chemical Physics Letters ◽

10.1016/s0009-2614(97)00306-0 ◽

1997 ◽

Vol 269 (5-6) ◽

pp. 393-400 ◽

Cited By ~ 12

Author(s):

István Macsári ◽

Vladiszlav Izvekov ◽

Attila Kovács

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Hydrogen Bonded

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Quantum mechanical study of potential energy curves of protons in hydrogen bonds of 7-azaindole dimer in the ground and excited states

Chemical Physics Letters ◽

10.1016/0009-2614(71)80405-0 ◽

1971 ◽

Vol 11 (4) ◽

pp. 539-541 ◽

Cited By ~ 17

Author(s):

V.I. Pechenaya ◽

V.I. Danilov

Keyword(s):

Hydrogen Bonds ◽

Potential Energy ◽

Excited States ◽

Potential Energy Curves ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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