Chemical model calculations of C2, C3, CH, CN, OH, and NH2 abundances in cometary comae

Intermolecular Interactions inN,N-Dimethylacetamide without and with LiCl Studied by Infrared Spectroscopy and Quantum Chemical Model Calculations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.8b05569 ◽

2018 ◽

Vol 122 (38) ◽

pp. 8921-8930 ◽

Cited By ~ 5

Author(s):

Nikolay Kotov ◽

Vladimír Raus ◽

Jiří Dybal

Keyword(s):

Infrared Spectroscopy ◽

Intermolecular Interactions ◽

Quantum Chemical ◽

Chemical Model ◽

Model Calculations ◽

Quantum Chemical Model

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Electronic States of Naphthazarin and Related Compounds. UV--VIS Linear Dichroism Spectroscopy and Quantum Chemical Model Calculations.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.53-0222 ◽

1999 ◽

Vol 53 ◽

pp. 222-229 ◽

Cited By ~ 8

Author(s):

Kristine B. Andersen ◽

Sine Larsen ◽

Alexander van Lelieveld ◽

Rikke Mattsson Bruun ◽

Pher G. Andersson ◽

...

Keyword(s):

Quantum Chemical ◽

Electronic States ◽

Linear Dichroism ◽

Chemical Model ◽

Model Calculations ◽

Quantum Chemical Model ◽

Related Compounds

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The Investigation of Metal-Amide Interactions with the Aid of Quantum Chemical Model Calculations and Corresponding Model Experiments

The Jerusalem Symposia on Quantum Chemistry and Biochemistry - Metal-Ligand Interactions in Organic Chemistry and Biochemistry ◽

10.1007/978-94-010-1170-9_9 ◽

1977 ◽

pp. 127-145 ◽

Cited By ~ 1

Author(s):

Bernd M. Rode

Keyword(s):

Quantum Chemical ◽

Chemical Model ◽

Model Calculations ◽

Model Experiments ◽

Quantum Chemical Model

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Osmotic and activity coefficients of strongly associated electrolytes over large concentration ranges from chemical model calculations

Journal of Molecular Liquids ◽

10.1016/s0167-7322(00)00121-5 ◽

2000 ◽

Vol 87 (2-3) ◽

pp. 191-216 ◽

Cited By ~ 22

Author(s):

H. Krienke ◽

J. Barthel ◽

M. Holovko ◽

I. Protsykevich ◽

Yu. Kalyushnyi

Keyword(s):

Activity Coefficients ◽

Large Concentration ◽

Chemical Model ◽

Model Calculations

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Raman Optical Activity and Raman Spectra of Amphetamine Species—Quantum Chemical Model Calculations and Experiments

American Journal of Analytical Chemistry ◽

10.4236/ajac.2012.36054 ◽

2012 ◽

Vol 03 (06) ◽

pp. 410-421 ◽

Cited By ~ 10

Author(s):

Rolf Willestofte Berg ◽

Irene Shim ◽

Peter Cyril White ◽

Salim Abdali

Keyword(s):

Raman Spectra ◽

Optical Activity ◽

Quantum Chemical ◽

Chemical Model ◽

Model Calculations ◽

Raman Optical Activity ◽

Quantum Chemical Model

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Non-covalent interactions of imidazolium-based ionic liquids with model pyrrolidones revealed by FTIR spectroscopy and quantum chemical model calculations

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.113445 ◽

2020 ◽

Vol 312 ◽

pp. 113445

Author(s):

Nikolay Kotov ◽

Vladimír Raus ◽

Jiří Dybal

Keyword(s):

Ionic Liquids ◽

Ftir Spectroscopy ◽

Quantum Chemical ◽

Chemical Model ◽

Model Calculations ◽

Quantum Chemical Model ◽

Non Covalent Interactions ◽

Covalent Interactions

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The Investigation of Metal-Amide Interactions with the Aid of Quantum Chemical Model Calculations and Corresponding Model Experiments

The Jerusalem Symposia on Quantum Chemistry and Biochemistry - Metal-Ligand Interactions in Organic Chemistry and Biochemistry ◽

10.1007/978-94-017-6392-9_9 ◽

1977 ◽

pp. 127-145 ◽

Cited By ~ 1

Author(s):

Bernd M. Rode

Keyword(s):

Quantum Chemical ◽

Chemical Model ◽

Model Calculations ◽

Model Experiments ◽

Quantum Chemical Model

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Catalytic properties of a free hydroxyl on a silica, a zeolite, and modified zeolites: quantum-chemical model calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(93)87104-l ◽

1993 ◽

Vol 280 (1) ◽

pp. 139-145 ◽

Cited By ~ 17

Author(s):

Jumras Limtrakul ◽

Supa Hannongbua

Keyword(s):

Quantum Chemical ◽

Catalytic Properties ◽

Chemical Model ◽

Model Calculations ◽

Quantum Chemical Model ◽

Free Hydroxyl ◽

Modified Zeolites

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ChemInform Abstract: QUANTUM CHEMICAL MODEL CALCULATIONS ON THE ADSORPTION OF BENZENE ON PLATINUM (100) SURFACES

Chemischer Informationsdienst ◽

10.1002/chin.197634075 ◽

1976 ◽

Vol 7 (34) ◽

pp. no-no

Author(s):

HANS MIESSNER ◽

DETTLEW LABES ◽

KARL-HEINZ HECKNER

Keyword(s):

Quantum Chemical ◽

Chemical Model ◽

Model Calculations ◽

Quantum Chemical Model

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ChemInform Abstract: Catalytic Properties of a Free Hydroxyl on a Silica, a Zeolite, and Modified Zeolites: Quantum-Chemical Model Calculations

ChemInform ◽

10.1002/chin.199323004 ◽

2010 ◽

Vol 24 (23) ◽

pp. no-no

Author(s):

J. LIMTRAKUL ◽

S. HANNONGBUA

Keyword(s):

Quantum Chemical ◽

Catalytic Properties ◽

Chemical Model ◽

Model Calculations ◽

Quantum Chemical Model ◽

Free Hydroxyl ◽

Modified Zeolites

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