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Tuning the Electronic and Optical Properties of Phenoxaborin Based Thermally Activated Delayed Fluorescent Materials: A DFT Study

Journal of fluorescence, 2024-01

2024

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Water-assisted absorption of CO 2 by 3-amino-1-propanol: a mechanistic insight

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (29), p.19845-19853

2024

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Water-assisted absorption of CO2 by 3-amino-1-propanol: a mechanistic insight

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (29), p.19845-19853

2024

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Nitrogen Amelioration-Driven Carbon Dioxide Capture by Nanoporous Polytriazine

Langmuir, 2019-04, Vol.35 (14), p.4893-4901

2019

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Structure, Stability, and Properties of Boron Encapsulated Complexes of C60, C59B, and C59N

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (8), p.1708-1714

2017

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Optoelectronic Properties of Cycloparaphenylene–Carbon Nanotube Based Molecular Architectures

Journal of physical chemistry. C, 2018-08, Vol.122 (34), p.19904-19912

2018

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Tuning of the Singlet–Triplet Energy Gap of Donor-Linker-Acceptor Based Thermally Activated Delayed Fluorescent Emitters

Journal of fluorescence, 2024-05, Vol.34 (3), p.1343-1351

2024

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Effect of Electron-Donating Substituents and an Electric Field on the ΔE ST of Selected Imidazopyridine Derivatives: A DFT Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-10, Vol.128 (39), p.8428-8435

2024

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Natural Gas Evolution in a Gas Hydrate Melt: Effect of Thermodynamic Hydrate Inhibitors

The journal of physical chemistry. B, 2017-01, Vol.121 (1), p.153-163

2017

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Substitution-induced band shifts and relative population of cis–trans azobenzene

Theoretical chemistry accounts, 2024-08, Vol.143 (8), Article 62

2024

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A multifunctional triazine-based nanoporous polymer as a versatile organocatalyst for CO2 utilization and C–C bond formation

Chemical communications (Cambridge, England), 2019, Vol.55 (77), p.11607-11610

2019

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Switching the charge transfer characteristics of quaterthiophene from p-type to n-type via interactions with carbon nanotubes

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (44), p.24820-24827

2019

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Structural, optoelectronic and charge transport properties of the complexes of indigo encapsulated in carbon nanotubes

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (22), p.15158-15167

2018

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Probing the Interaction of NO with C60: Comparison between Endohedral and Exohedral Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-04, Vol.127 (16), p.3598-3607

2023

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A highly sensitive pyridine-dicarbohydrazide based chemosensor for colorimetric recognition of Cu2+, AMP2−, F− and AcO− ions

New journal of chemistry, 2018-06, Vol.42 (11), p.8567-8576

2018

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Behavior of HF and (HF)2 inside a fullerene cage: An in silico study using different density functionals

International journal of quantum chemistry, 2023-04, Vol.123 (7), p.n/a

2023

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Structure, Stability, and Properties of Boron Encapsulated Complexes of C 60 , C 59 B, and C 59 N

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (8), p.1708-1714

2017

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Probing the Interaction of NO with C 60 : Comparison between Endohedral and Exohedral Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-04, Vol.127 (16), p.3598-3607

2023

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Effect of confinement on the electronic and optical properties of azobenzene: cucurbituril as a means of confinement

Molecular physics, 2022-09, Vol.120 (17)

2022

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Optoelectronic and charge transport properties of the complex of carbon nanotube with perylene bisimide

International journal of quantum chemistry, 2019-12, Vol.119 (24), p.n/a

2019

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Host-guest and guest-guest interactions in noble gas hydrates

Molecular physics, 2018-01, Vol.116 (1), p.54-63

2018

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Blue Shift in X−H Stretching Frequency of Molecules Due to Confinement

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-01, Vol.110 (1), p.2-4

2006

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Spin density transfer from guest to host in endohedral heterofullerene dimers

Physical chemistry chemical physics : PCCP, 2019-04, Vol.21 (14), p.7605-7612

2019

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Charge transport and optical properties of the complexes of indigo wrapped over carbon nanotubes

Physical chemistry chemical physics : PCCP, 2016-05, Vol.18 (20), p.14040-14045

2016

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Carbon dioxide induced bubble formation in a CH4-CO2-H2O ternary system: a molecular dynamics simulation study

Physical chemistry chemical physics : PCCP, 2016-02, Vol.18 (5), p.3746-3754

2016

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Tuning the Electronic and Optical Properties of Phenoxaborin Based Thermally Activated Delayed Fluorescent Materials: A DFT Study

Water-assisted absorption of CO 2 by 3-amino-1-propanol: a mechanistic insight

Water-assisted absorption of CO2 by 3-amino-1-propanol: a mechanistic insight

Nitrogen Amelioration-Driven Carbon Dioxide Capture by Nanoporous Polytriazine

Structure, Stability, and Properties of Boron Encapsulated Complexes of C60, C59B, and C59N

Optoelectronic Properties of Cycloparaphenylene–Carbon Nanotube Based Molecular Architectures

Tuning of the Singlet–Triplet Energy Gap of Donor-Linker-Acceptor Based Thermally Activated Delayed Fluorescent Emitters

Effect of Electron-Donating Substituents and an Electric Field on the ΔE ST of Selected Imidazopyridine Derivatives: A DFT Study

Natural Gas Evolution in a Gas Hydrate Melt: Effect of Thermodynamic Hydrate Inhibitors

Substitution-induced band shifts and relative population of cis–trans azobenzene

A multifunctional triazine-based nanoporous polymer as a versatile organocatalyst for CO2 utilization and C–C bond formation

Switching the charge transfer characteristics of quaterthiophene from p-type to n-type via interactions with carbon nanotubes

Structural, optoelectronic and charge transport properties of the complexes of indigo encapsulated in carbon nanotubes

Probing the Interaction of NO with C60: Comparison between Endohedral and Exohedral Complexes

A highly sensitive pyridine-dicarbohydrazide based chemosensor for colorimetric recognition of Cu2+, AMP2−, F− and AcO− ions

Behavior of HF and (HF)2 inside a fullerene cage: An in silico study using different density functionals

Structure, Stability, and Properties of Boron Encapsulated Complexes of C 60 , C 59 B, and C 59 N

Probing the Interaction of NO with C 60 : Comparison between Endohedral and Exohedral Complexes

Effect of confinement on the electronic and optical properties of azobenzene: cucurbituril as a means of confinement

Optoelectronic and charge transport properties of the complex of carbon nanotube with perylene bisimide

Host-guest and guest-guest interactions in noble gas hydrates

Blue Shift in X−H Stretching Frequency of Molecules Due to Confinement

Spin density transfer from guest to host in endohedral heterofullerene dimers

Charge transport and optical properties of the complexes of indigo wrapped over carbon nanotubes

Carbon dioxide induced bubble formation in a CH4-CO2-H2O ternary system: a molecular dynamics simulation study

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