Chemical Reactivity in Confined Systems
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22

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Published By Wiley

9781119684022, 9781119683353

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Front Matter

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.fmatter ◽

2021 ◽

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Effect of Confinement on the Physicochemical Properties of Chromophoric Dyes/Drugs with Cucurbit[ n ]uril: Prospective Applications

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.ch19 ◽

2021 ◽

pp. 371-393

Author(s):

J. Mohanty ◽

N. Barooah ◽

A. C. Bhasikuttan

Keyword(s):

Physicochemical Properties

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Conceptual DFT and Confinement

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.ch3 ◽

2021 ◽

pp. 49-67

Author(s):

Paul Geerlings ◽

David J. Tozer ◽

Frank De Proft

Keyword(s):

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Softness Kernel and Nonlinear Electronic Responses

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.ch10 ◽

2021 ◽

pp. 179-189

Author(s):

Patrick Senet

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A Perspective on the So‐Called Dual Descriptor

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.ch6 ◽

2021 ◽

pp. 99-112

Author(s):

F. Guégan ◽

L. Merzoud ◽

H. Chermette ◽

C. Morell

Keyword(s):

Dual Descriptor

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Chemical Reactivity Within the Spin‐Polarized Framework of Density Functional Theory

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.ch8 ◽

2021 ◽

pp. 135-165

Author(s):

E. Chamorro ◽

P. Pérez

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Reactivity ◽

Functional Theory ◽

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Molecular Electrostatic Potentials: Significance and Applications

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.ch7 ◽

2021 ◽

pp. 113-134

Author(s):

Peter Politzer ◽

Jane S. Murray

Keyword(s):

Electrostatic Potentials ◽

Molecular Electrostatic Potentials

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A Density Functional Theory Study of Confined Noble Gas Dimers in Fullerene Molecules

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.ch13 ◽

2021 ◽

pp. 225-238

Author(s):

Dongbo Zhao ◽

Meng Li ◽

Xin He ◽

Bin Wang ◽

Chunying Rong ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Noble Gas ◽

Density Functional Theory Study ◽

Functional Theory ◽

Noble Gas Dimers

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Box‐Shaped Hosts: Evaluation of the Interaction Nature and Host Characteristics of ExBox Derivatives in Host‐Guest Complexes from Computational Methods

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.ch20 ◽

2021 ◽

pp. 395-416

Author(s):

Giovanni F. Caramori ◽

Alvaro Muñoz‐Castro

Keyword(s):

Computational Methods ◽

Host Characteristics

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Unveiling the Mysterious Mechanisms of Chemical Reactions

Chemical Reactivity in Confined Systems ◽

10.1002/9781119683353.ch5 ◽

2021 ◽

pp. 81-97

Author(s):

Soledad Gutiérrez‐Oliva ◽

Silvia Díaz ◽

Alejandro Toro‐Labbé

Keyword(s):

Chemical Reactions

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