PM6, PM7 and RM1 Quantum Chemistry Modeling of MEH-PPV and PEDOT Polymers

Excited states and absorption spectra of 2-β-diketonato-1,3,2-benzodioxaborol with aromatic substituents: Quantum-chemistry modeling

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.03.112 ◽

2015 ◽

Vol 148 ◽

pp. 60-65 ◽

Cited By ~ 10

Author(s):

M.V. Kazachek ◽

I.V. Svistunova

Keyword(s):

Quantum Chemistry ◽

Absorption Spectra ◽

Excited States ◽

Understanding Electrochemical Reduction of CO2 Using Quantum Chemistry Modeling

ECS Meeting Abstracts ◽

10.1149/ma2017-02/45/2003 ◽

2017 ◽

Keyword(s):

Quantum Chemistry ◽

Electrochemical Reduction ◽

Chemistry Modeling ◽

Reduction Of Co2

Journal of Vacuum Science & Technology B Microelectronics and Nanometer Structures Processing Measurement and Phenomena ◽

Remarkably efficient acid generation in chemically amplified resist from quantum chemistry modeling

10.1116/1.2406061 ◽

2007 ◽

Vol 25 (1) ◽

pp. 58

Author(s):

Alex A. Granovsky ◽

Anastasia V. Bochenkova ◽

Nikolay Suetin ◽

David Fryer ◽

Vivek Singh

Keyword(s):

Quantum Chemistry ◽

Acid Generation ◽

Chemically Amplified ◽

Chemically Amplified Resist ◽

Quantum Chemistry Modeling of Luminescence Kinetics of Ag Nanoclusters Dispersed in Glass Host

The Journal of Physical Chemistry C ◽

10.1021/jp402503n ◽

2013 ◽

Vol 117 (15) ◽

pp. 7796-7800 ◽

Cited By ~ 18

Author(s):

Mikhail V. Shestakov ◽

Ngo T. Cuong ◽

Victor K. Tikhomirov ◽

Minh T. Nguyen ◽

Liviu F. Chibotaru ◽

...

Keyword(s):

Quantum Chemistry ◽

Glass Host ◽

Luminescence Kinetics ◽

Chemistry Modeling ◽

Ag Nanoclusters ◽

Kinetics Of

Recent Progress in Quantum Chemistry Modeling on the Pyrolysis Mechanisms of Lignocellulosic Biomass

Energy & Fuels ◽

10.1021/acs.energyfuels.0c01948 ◽

2020 ◽

Vol 34 (9) ◽

pp. 10384-10440 ◽

Cited By ~ 3

Author(s):

Bin Hu ◽

Bing Zhang ◽

Wen-luan Xie ◽

Xiao-yan Jiang ◽

Ji Liu ◽

...

Keyword(s):

Quantum Chemistry ◽

Lignocellulosic Biomass ◽

Recent Progress ◽

Initial Steps and Thermochemistry of Unimolecular Decomposition of Oxadiazole Energetic Materials: Quantum Chemistry Modeling

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c05876 ◽

2021 ◽

Author(s):

Shuangfei Zhu ◽

Wei Yang ◽

Qiang Gan ◽

Changgen Feng

Keyword(s):

Quantum Chemistry ◽

Energetic Materials ◽

Unimolecular Decomposition ◽

Quantum Chemistry.

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1958.17.3_4.279a ◽

1958 ◽

Vol 17 (3_4) ◽

pp. 279-280

Author(s):

Th. Förster

Keyword(s):

Propagators in Quantum Chemistry

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1975.95.4-6.318a ◽

1975 ◽

Vol 95 (4-6) ◽

pp. 318-319

Author(s):

W. A. Bingel

Keyword(s):

Performance analysis and middleware assisted adaptation for quantum chemistry computations

10.31274/etd-180810-1764 ◽

2009 ◽

Author(s):

Lakshminarasimhan Seshagiri

Keyword(s):

Performance Analysis ◽

A diatribe in quantum chemistry

10.31274/rtd-180813-15256 ◽

2000 ◽

Author(s):

Vassiliki-Alexandra Glezakou

Keyword(s):