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Organocatalyzed coupling of carbon dioxide with epoxides for the synthesis of cyclic carbonates: catalyst design and mechanistic studies

Catalysis science & technology, 2017, Vol.7 (13), p.2651-2684

2017

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Organocatalytic promoted coupling of carbon dioxide with epoxides: a rational investigation of the cocatalytic activity of various hydrogen bond donors

Catalysis science & technology, 2015-01, Vol.5 (9), p.4636-4643

2015

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DFT investigation of the reaction mechanism for the guanidine catalysed ring-opening of cyclic carbonates by aromatic and alkyl-amines

RSC advances, 2017-01, Vol.7 (31), p.18993-19001

2017

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On the phase behaviour of oxetane-CO2 and propargylic alcohols-CO2 binary mixtures by in situ infrared micro-spectrometry

The Journal of supercritical fluids, 2017-10, Vol.128, p.308-313

2017

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Theoretical analysis of C–F bond cleavage mediated by cob[I]alamin-based structures

Journal of molecular modeling, 2017-09, Vol.23 (9), p.264-12, Article 264

2017

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The coupling of CO2 with diols promoted by organic dual systems: Towards products divergence via benchmarking of the performance metrics

Journal of CO2 utilization, 2020-05, Vol.38, p.88-98

2020

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Structure and Properties of Gallium-Rich Sodium Germano-Gallate Glasses

Journal of physical chemistry. C, 2019-01, Vol.123 (2), p.1370-1378

2019

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Study of the Ge20Te80-xSex glassy structures by combining solid state NMR, vibrational spectroscopies and DFT modelling

Journal of solid state chemistry, 2021-05, Vol.297, p.122062, Article 122062

2021

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Binding energies: New values and impact on the efficiency of chemical desorption

Molecular Astrophysics, 2017-03, Vol.6, p.22-35

2017

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Experimental and Theoretical Investigation on the OH + CH3C(O)CH3 Reaction at Interstellar Temperatures (T = 11.7–64.4 K)

ACS earth and space chemistry, 2019-09, Vol.3 (9), p.1873-1883

2019

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Theoretical study of alkoxyl radical decomposition reactions : structure-activity relationships

Physical chemistry chemical physics : PCCP, 2000, Vol.2 (17), p.3765-3772

2000

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A comprehensive density functional theory study of the key role of fluorination and dual hydrogen bonding in the activation of the epoxide/CO2 coupling by fluorinated alcohols

2016

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Theoretical study on the atmospheric fate of carbonyl radicals: kinetics of decomposition reactions

Physical chemistry chemical physics : PCCP, 2001-01, Vol.3 (21), p.4712-4717

2001

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STUDIES OF GAS PHASE REACTIVITY DURING CHEMICAL VAPOUR DEPOSITION OF BORON CARBIDE

Ceramic Engineering and Science Proceedings, 2013-01, Vol.33 (10), p.105-116

2013

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A comprehensive density functional theory study of the key role of fluorination and dual hydrogen bonding in the activation of the epoxide/CO 2 coupling by fluorinated alcohols

RSC advances, 2016, Vol.6 (43), p.36327-36335

2016

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Alkoxyl radical decomposition explained by a valence-bond model

Physical chemistry chemical physics : PCCP, 2001, Vol.3 (17), p.3656-3661

2001

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On the Interface Dipole at the Pentacene−Fullerene Heterojunction: A Theoretical Study

Journal of physical chemistry. C, 2010-02, Vol.114 (7), p.3215-3224

2010

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A comprehensive density functional theory study of the key role of fluorination and dual hydrogen bonding in the activation of the epoxide/CO2 coupling by fluorinated alcoholsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6ra03427f

2016-04

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A comprehensive density functional theory study of the key role of fluorination and dual hydrogen bonding in the activation of the epoxide/CO sub(2) coupling by fluorinated alcohols

RSC advances, 2016-04, Vol.6 (43), p.36327-36335

2016

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Theoretical study on the comparative fate of the 1-butoxy and β-hydroxy-1-butoxy radicals

Physical chemistry chemical physics : PCCP, 2000-01, Vol.2 (9), p.1919-1928

2000

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Theoretical investigation of the high-pressure behavior of nitric acid

Physical review. B, Condensed matter and materials physics, 2004-03, Vol.69 (10), Article 104101

2004

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The thermal unimolecular decomposition rate constants of ethoxy radicals

Physical chemistry chemical physics : PCCP, 1999-06, Vol.1 (12), p.2935-2944

1999

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On the phase behaviour of oxetane-CO 2 and propargylic alcohols-CO 2 binary mixtures by in situ infrared micro-spectrometry

The Journal of supercritical fluids, 2017-10, Vol.128, p.308-313

2017

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Isomerisation reactions of alkoxy radicals: theoretical study and structure-activity relationships

Physical chemistry chemical physics : PCCP, 2003-11, Vol.5 (21), p.4828-4833

2003

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DFT investigation of the reaction mechanism for the guanidine catalysed ring-opening of cyclic carbonates by aromatic and alkyl-aminesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7ra00220c

2017-03

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Organocatalyzed coupling of carbon dioxide with epoxides for the synthesis of cyclic carbonates: catalyst design and mechanistic studies

Organocatalytic promoted coupling of carbon dioxide with epoxides: a rational investigation of the cocatalytic activity of various hydrogen bond donors

DFT investigation of the reaction mechanism for the guanidine catalysed ring-opening of cyclic carbonates by aromatic and alkyl-amines

On the phase behaviour of oxetane-CO2 and propargylic alcohols-CO2 binary mixtures by in situ infrared micro-spectrometry

Theoretical analysis of C–F bond cleavage mediated by cob[I]alamin-based structures

The coupling of CO2 with diols promoted by organic dual systems: Towards products divergence via benchmarking of the performance metrics

Structure and Properties of Gallium-Rich Sodium Germano-Gallate Glasses

Study of the Ge20Te80-xSex glassy structures by combining solid state NMR, vibrational spectroscopies and DFT modelling

Binding energies: New values and impact on the efficiency of chemical desorption

Experimental and Theoretical Investigation on the OH + CH3C(O)CH3 Reaction at Interstellar Temperatures (T = 11.7–64.4 K)

Theoretical study of alkoxyl radical decomposition reactions : structure-activity relationships

A comprehensive density functional theory study of the key role of fluorination and dual hydrogen bonding in the activation of the epoxide/CO2 coupling by fluorinated alcohols

Theoretical study on the atmospheric fate of carbonyl radicals: kinetics of decomposition reactions

STUDIES OF GAS PHASE REACTIVITY DURING CHEMICAL VAPOUR DEPOSITION OF BORON CARBIDE

A comprehensive density functional theory study of the key role of fluorination and dual hydrogen bonding in the activation of the epoxide/CO 2 coupling by fluorinated alcohols

Alkoxyl radical decomposition explained by a valence-bond model

On the Interface Dipole at the Pentacene−Fullerene Heterojunction: A Theoretical Study

A comprehensive density functional theory study of the key role of fluorination and dual hydrogen bonding in the activation of the epoxide/CO2 coupling by fluorinated alcoholsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6ra03427f

A comprehensive density functional theory study of the key role of fluorination and dual hydrogen bonding in the activation of the epoxide/CO sub(2) coupling by fluorinated alcohols

Theoretical study on the comparative fate of the 1-butoxy and β-hydroxy-1-butoxy radicals

Theoretical investigation of the high-pressure behavior of nitric acid

The thermal unimolecular decomposition rate constants of ethoxy radicals

On the phase behaviour of oxetane-CO 2 and propargylic alcohols-CO 2 binary mixtures by in situ infrared micro-spectrometry

Isomerisation reactions of alkoxy radicals: theoretical study and structure-activity relationships

DFT investigation of the reaction mechanism for the guanidine catalysed ring-opening of cyclic carbonates by aromatic and alkyl-aminesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7ra00220c

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