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chemistry, physical (4) 4
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Journal of Computational Chemistry, ISSN 0192-8651, 01/2019, Volume 40, Issue 1, pp. 105 - 112
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 02/2013, Volume 113, Issue 3, pp. 252 - 256
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 2/2014, Volume 133, Issue 2, pp. 1 - 9
We performed intra- and inter-molecular charge transfer (CT) excitation calculations of H2N–(CH=CH) n –NO2 (a) and its equidistant H2N–H···H–NO2 (b) using... 
Charge transfer excitation | HOMO–LUMO gap | Atomic/Molecular Structure and Spectra | Range separation | LC-DFT | Theoretical and Computational Chemistry | Chemistry | Physical Chemistry | Inorganic Chemistry | Excitonic energy | Organic Chemistry | Long-range corrected DFT | TD-DFT | HOMO-LUMO gap
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 12/2015, Volume 1702, Issue 1
Long-range corrected density functional theory (LC-DFT) attracts many chemists’ attentions as a quantum chemical method to be applied to large molecular system... 
Linear Scaling of HF exchange | LC-DFT | Range separation | Exchanging | Organic chemistry | Density functional theory | Quantum chemistry | Chemists | HARTREE-FOCK METHOD | INTEGRALS | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | DENSITY FUNCTIONAL METHOD | SCALING | SOLIDS | ATOMIC AND MOLECULAR PHYSICS
Conference Proceeding
Journal of Molecular Structure, ISSN 0022-2860, 09/2017, Volume 1143, pp. 397 - 404
Amine-imine tautomerization in 5-amino-7-(pyrrolidin-1-yl)-2,4,4-trimethyl-1,4-dihydro-1,6-naphthyridine-8-carbonitrile (APNC) has been studied using the... 
NLO | Naphthyridine derivatives | Intramolecular proton transfer | Tautomerization | Traditional hybrid and LC-DFT
Journal Article
JOURNAL OF MOLECULAR STRUCTURE, ISSN 0022-2860, 09/2017, Volume 1143, pp. 397 - 404
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 2011, Volume 965, Issue 1, pp. 15 - 21
Journal Article
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