Chemical reactivity theory (CRT) study of small drug-like biologically active molecules
R Srivastava - Journal of Biomolecular Structure and Dynamics, 2021 - Taylor & Francis
New biochemical screening and design based technology are used to identify the small
molecules in targeting RNA. These approaches has develop potential drug like small …
molecules in targeting RNA. These approaches has develop potential drug like small …
Insights into the Mechanism of the Benzoannelated Thieno[3,2-b]furan Halogenation. Importance of HOMO–HOMO Interaction
A Vektariene - The Journal of Physical Chemistry A, 2013 - ACS Publications
In this paper the mechanism of the benzoannelated thieno [3, 2-b] furan halogenation
reaction has been characterized using density functional theory calculations. The solvent …
reaction has been characterized using density functional theory calculations. The solvent …
Experimental and Theoretical Study on the Homodimerization Mechanism of 3-Acetylcoumarin
KB Simeonova, AI Koleva, AMR Zlatanova… - Molecules, 2022 - mdpi.com
In the present study, the reaction conditions for homodimerization process of 3-
acetylcoumarin were achieved under sonication using combination of zinc and metallic salt …
acetylcoumarin were achieved under sonication using combination of zinc and metallic salt …
Experimental and theoretical investigation of substituent effects in a two-pathway reaction of tetrahydro-1, 5-benzodiazepine-2-thiones with 4-substituted 2 …
R Janciene, A Vektariene, Z Stumbreviciute… - Monatshefte für Chemie …, 2011 - Springer
The interaction of 5-acetyl (or formyl)-3-R 1 (CH 3, H)-4-R 2 (CH 3, Ph, H)-1, 3, 4, 5-
tetrahydro-2 H-1, 5-benzodiazepine-2-thiones with 2-bromo-4′-X (CH 3, OCH 3, Br, H) …
tetrahydro-2 H-1, 5-benzodiazepine-2-thiones with 2-bromo-4′-X (CH 3, OCH 3, Br, H) …
New synthesis and reactivity of 3‐bromoacetyl‐4‐hydroxy‐6‐methyl‐2H‐pyran‐2‐one with binucleophilic amines
D Hikem‐Oukacha, M Hamdi… - Journal of …, 2011 - Wiley Online Library
(Bromoacetyl)‐4‐hydroxy‐6‐methyl‐2H‐pyran‐2‐one was synthesized by the reaction of
dehydroacetic acid (DHAA) with bromine in glacial acetic acid. Novel heterocyclic products …
dehydroacetic acid (DHAA) with bromine in glacial acetic acid. Novel heterocyclic products …
Novel two step synthesis of bis/Mono 1-aryl-1H-tetrazole-5-carboxylic acid
S Chandrakumari, D Sivakumar… - Synthetic …, 2019 - Taylor & Francis
Some novel compounds of bis/mono 1-aryl-1H-tetrazole-5-carboxylic acid are synthesized
by the hydrolysis of two different synthesized esters, they are ethyl-1-aryl-1H-tetrazole-5 …
by the hydrolysis of two different synthesized esters, they are ethyl-1-aryl-1H-tetrazole-5 …
Theoretical study on the mechanism of thieno[3,2‐b]benzofuran bromination: the importance of Lewis and non‐Lewis type NBOs interactions along the reaction path
A Vektariene - Journal of Physical Organic Chemistry, 2016 - Wiley Online Library
A density functional theory study has been performed to estimate the electrophilic thieno [3,
2‐b] benzofuran bromination reaction. Optimized structures for all stationary points were …
2‐b] benzofuran bromination reaction. Optimized structures for all stationary points were …
Ethyl esters of coumarin-3-phosphonic acid and 1, 2-benzoxaphosphorine-3-carboxylic acid: crystal structure, spectroscopic and theoretical elucidation
IR-spectroscopic characterization of the coumarin-3-phosphonic acid and 1, 2-
benzoxaphosphorine-3-carboxylic acid ethyl esters has been carried out by means of linear …
benzoxaphosphorine-3-carboxylic acid ethyl esters has been carried out by means of linear …
[PDF][PDF] Theoretical Study of Benzofused Thieno [3, 2-b] furans in the reactions with electrophiles
A Vektariene, G Vektaris, J Svoboda - Heteroatom Chemistry, 2004 - sciforum.net
Calculations of traditional HF and DFT based reactivity descriptors are reported for the
benzofused thieno [3, 2-b] furans in order to get insight into the factors determining the exact …
benzofused thieno [3, 2-b] furans in order to get insight into the factors determining the exact …
Nucleotides and nucleic acids; oligo-and polynucleotides
D Loakes - 2009 - books.rsc.org
Nucleotides and nucleic acids; oligo- and polynucleotides | Organophosphorus Chemistry |
Books Gateway | Royal Society of Chemistry Skip to Main Content Umbrella Alt Text Umbrella …
Books Gateway | Royal Society of Chemistry Skip to Main Content Umbrella Alt Text Umbrella …