Atmospheric degradation of chrysene initiated by OH radical: A quantum chemical investigation

Chemosphere ◽

10.1016/j.chemosphere.2020.128267 ◽

2021 ◽

Vol 263 ◽

pp. 128267 ◽

Author(s):

Zhezheng Ding ◽

Yayi Yi ◽

Wenxing Wang ◽

Qingzhu Zhang

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Quantum Chemical Investigation ◽

Atmospheric Degradation

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Quantum chemical investigation on the mechanism and kinetics of OH radical-initiated atmospheric oxidation of PCB-47

Chemosphere ◽

10.1016/j.chemosphere.2015.03.040 ◽

2015 ◽

Vol 133 ◽

pp. 53-60 ◽

Author(s):

Yanhui Sun ◽

Qingzhu Zhang ◽

Hui Wang ◽

Wenxing Wang

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Atmospheric Oxidation ◽

Quantum Chemical Investigation ◽

Mechanism And Kinetics ◽

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QUANTUM-CHEMICAL INVESTIGATION OF THE COMPLEXATION OF TITANOCENE DICHLORIDE WITH C20 AND M+@C20 (M+ = Li, Na, K) CAGES

Journal of Structural Chemistry ◽

10.1134/s0022476620110025 ◽

2020 ◽

Vol 61 (11) ◽

pp. 1681-1690

Author(s):

R. Ghiasi ◽

M. Rahimi ◽

R. Ahmadi

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Titanocene Dichloride ◽

Quantum Chemical Investigation

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Raman spectroscopic and quantum chemical investigation of the effects of trimethylamine N‐oxide on hydrated guanidinium and hydrogen‐bonded water networks

Journal of Raman Spectroscopy ◽

10.1002/jrs.6061 ◽

2021 ◽

Author(s):

Genevieve A. Verville ◽

Mary Hannah Byrd ◽

Andrew Kamischke ◽

Shelly A. Smith ◽

David H. Magers ◽

...

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Water Networks ◽

Quantum Chemical Investigation ◽

Raman Spectroscopic ◽

Hydrogen Bonded

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Photo-redox coupled Co-pincer complexes for efficient decarbonylation of aryl carbonyls: A quantum chemical investigation

Molecular Catalysis ◽

10.1016/j.mcat.2021.111553 ◽

2021 ◽

Vol 507 ◽

pp. 111553

Author(s):

Animesh Chowdhury ◽

Santu Biswas ◽

Sourav Ghoshal ◽

Anup Pramanik ◽

Pranab Sarkar

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Pincer Complexes ◽

Quantum Chemical Investigation

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Quantum Chemical Investigation of Perchloric Acid Decomposition Releasing Oxygen

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c04433 ◽

2021 ◽

Author(s):

Tanusree Chatterjee ◽

Stefan T. Thynell

Keyword(s):

Perchloric Acid ◽

Quantum Chemical ◽

Chemical Investigation ◽

Acid Decomposition ◽

Quantum Chemical Investigation

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Quantum-chemical investigation of the mechanisms of oxidation of dimethyl sulfide by hydrogen peroxide and peroxoborates

Theoretical and Experimental Chemistry ◽

10.1007/s11237-011-9176-z ◽

2011 ◽

Vol 47 (1) ◽

pp. 2-8 ◽

Author(s):

S. L. Litvinenko ◽

V. L. Lobachev ◽

L. M. Dyatlenko ◽

N. A. Turovskii

Keyword(s):

Hydrogen Peroxide ◽

Quantum Chemical ◽

Dimethyl Sulfide ◽

Chemical Investigation ◽

Quantum Chemical Investigation

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Quantum chemical investigation of thalidomide molecule

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.11.039 ◽

2005 ◽

Vol 719 (1-3) ◽

pp. 1-5 ◽

Author(s):

Şakir Erkoç ◽

Figen Erkoç

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Quantum Chemical Investigation

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Vibronic valence and Rydberg transitions in geminal chloro-fluoro-ethene (1,1-C2H2FCl): a spectroscopic and quantum chemical investigation

Molecular Physics ◽

10.1080/00268976.2013.842659 ◽

2013 ◽

Vol 112 (11) ◽

pp. 1520-1539 ◽

Author(s):

R. Locht ◽

D. Dehareng ◽

B. Leyh

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Quantum Chemical Investigation ◽

Rydberg Transitions

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Atmospheric reaction of OH radicals with 2-methyl-3-buten-2-ol (MBO): Quantum chemical investigation on the reaction mechanism

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.08.023 ◽

2012 ◽

Vol 999 ◽

pp. 109-120 ◽

Author(s):

Benni Du ◽

Weichao Zhang

Keyword(s):

Reaction Mechanism ◽

Quantum Chemical ◽

Chemical Investigation ◽

Oh Radicals ◽

Quantum Chemical Investigation ◽

Atmospheric Reaction

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Quantum-chemical investigation of structure and stability of [n]-prismanes and [n]-asteranes

Russian Journal of Organic Chemistry ◽

10.1134/s107042800708009x ◽

2007 ◽

Vol 43 (8) ◽

pp. 1144-1150 ◽

Author(s):

T. N. Gribanova ◽

R. M. Minyaev ◽

V. I. Minkin

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Quantum Chemical Investigation ◽

Structure And Stability

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