ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces
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ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ix002 ◽

2019 ◽

pp. 349-356

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Atomistic Simulations of Plasmon Mediated Photochemistry

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ch011 ◽

2019 ◽

pp. 239-256

Author(s):

Yu Zhang ◽

Tammie Nelson ◽

Sergei Tretiak

Keyword(s):

Atomistic Simulations

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Comprehensive Study of Multiple Exciton Generation in Chiral Carbon Nanotubes Using Many-Body Perturbation Theory Based on Density Functional Theory Simulations

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ch007 ◽

2019 ◽

pp. 157-179

Author(s):

Andrei Kryjevski

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Perturbation Theory ◽

Density Functional ◽

Many Body ◽

Functional Theory ◽

Multiple Exciton Generation ◽

Chiral Carbon ◽

Many Body Perturbation Theory ◽

Comprehensive Study

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Modeling of Photooxidative Degradation of Aromatics in Water Matrix: A Quantitative Structure−Property Relationship Approach

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ch012 ◽

2019 ◽

pp. 257-292

Author(s):

Bakhtiyor Rasulev ◽

Ana Lončarić Božić ◽

Dionysios D. Dionysiou ◽

Hrvoje Kušić

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Water Matrix ◽

Structure Property Relationship

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Title, Copyright, Foreword

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.fw001 ◽

2019 ◽

pp. i-v

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Functionalized Carbon Nanotube Excited States and Optical Properties

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ch008 ◽

2019 ◽

pp. 181-207 ◽

Cited By ~ 1

Author(s):

Brendan J. Gifford

Keyword(s):

Optical Properties ◽

Carbon Nanotube ◽

Excited States ◽

Functionalized Carbon Nanotube

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Physical Properties of Conjugated Nanopore Materials

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ch013 ◽

2019 ◽

pp. 293-308

Author(s):

Artem Pimachev ◽

Robert D. Nielsen ◽

Anri Karanovich ◽

Vitaly Proshchenko ◽

Yuri Dahnovsky

Keyword(s):

Physical Properties

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Computational Simulation of Trapped Charge Carriers in TiO2 and Their Impacts on Photocatalytic Water Splitting

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ch004 ◽

2019 ◽

pp. 67-100

Author(s):

Dong Wang ◽

Fei Li ◽

Jian-Fu Chen ◽

Hai-Feng Wang ◽

Xiao-Ming Cao ◽

...

Keyword(s):

Water Splitting ◽

Computational Simulation ◽

Charge Carriers ◽

Photocatalytic Water Splitting ◽

Trapped Charge

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Optical Properties of the TiO2(110) Surface with Adsorbed Ag Atoms Relevant to Photocatalysis and Photovoltaics

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ch003 ◽

2019 ◽

pp. 47-66

Author(s):

Tijo Vazhappilly ◽

David A. Micha

Keyword(s):

Optical Properties

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Photo-induced Charge Separation and Photoredox Catalysis in Cerium-Based Metal–Organic Frameworks

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces ◽

10.1021/bk-2019-1331.ch014 ◽

2019 ◽

pp. 309-326

Author(s):

Xin-Ping Wu ◽

Donald G. Truhlar

Keyword(s):

Charge Separation ◽

Metal Organic Frameworks ◽

Photoredox Catalysis ◽

Metal Organic ◽

Induced Charge

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ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at InterfacesLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By American Chemical Society

Subject Index

Atomistic Simulations of Plasmon Mediated Photochemistry

Comprehensive Study of Multiple Exciton Generation in Chiral Carbon Nanotubes Using Many-Body Perturbation Theory Based on Density Functional Theory Simulations

Modeling of Photooxidative Degradation of Aromatics in Water Matrix: A Quantitative Structure−Property Relationship Approach

Title, Copyright, Foreword

Functionalized Carbon Nanotube Excited States and Optical Properties

Physical Properties of Conjugated Nanopore Materials

Computational Simulation of Trapped Charge Carriers in TiO2 and Their Impacts on Photocatalytic Water Splitting

Optical Properties of the TiO2(110) Surface with Adsorbed Ag Atoms Relevant to Photocatalysis and Photovoltaics

Photo-induced Charge Separation and Photoredox Catalysis in Cerium-Based Metal–Organic Frameworks

ACS Symposium Series - Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces
Latest Publications