Search Result "GIAO"


Green Approach to Stereoselective Synthesis of Benzo[d]chromeno[3,4- h]oxathiazonine Derivatives via MCRs in Water: A Combined Experimental and DFT Study

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 10 Year: 2015 Page: 990-999
Author(s): Hoorieh Djahaniani,Farzaneh Fatemi,Fatemeh Ektefa,Bita Mohtat,Behrouz Notash

Research Article

Synthesis, Conformational Analysis, Infrared, Raman and UV-Visible Spectra of Novel Schiff Bases compiled with DFT Calculations

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 23 Issue: 7 Year: 2020 Page: 568-586
Author(s): Samy M. Ahmed,Ibrahim A. Shaaban,Elsayed H. El-Mossalamy,Tarek A. Mohamed

Research Article

Cationic Intermediates for Electrophilic Reactions from 9,9-Dimethyl-9H-9- silafluorene

Journal: Current Organic Chemistry
Volume: 20 Issue: 28 Year: 2016 Page: 3014-3021
Author(s): Takao Okazaki,Yuki Yamamura,Takeshi Futemma,Toshikazu Kitagawa

Research Article

Synthesis, Characterization, Quantum-Chemical Calculations and Cytotoxic Activity of 1,8-Naphthalimide Derivatives with Non-Protein Amino Acids

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 19 Issue: 1 Year: 2019 Page: 1276-1284
Author(s): Marin N. Marinov,Emilia D. Naydenova,Georgi T. Momekov,Rumyana Y. Prodanova,Nadezhda V. Markova,Yulian T. Voynikov,Neyko M. Stoyanov

From Relative to Absolute Configuration of Complex Natural Products: Interplay Between NMR, ECD, VCD, and ORD Assisted by ab initio Calculations

Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1612-1628
Author(s): Ana G. Petrovic, Armando Navarro-Vazquez, Jose Lorenzo Alonso-Gomez

Interfacial Phenomena: Effects of Confined Space and Structure of Adsorbents on the Behavior of Polar and Nonpolar Adsorbates at Low Temperatures

Journal: Current Physical Chemistry
Volume: 5 Issue: 2 Year: 2015 Page: 137-172
Author(s): Vladimir M. Gun`ko

Research Article

The Substation Effect on Energetic Property and Aromatization of Some Benzamide Derivatives: A DFT Study

Journal: Letters in Organic Chemistry
Volume: 13 Issue: 5 Year: 2016 Page: 323-329
Author(s): Reza Soleymani

Research Article

Solution Tetrahydrobiopterin Radical vs. the Enzyme-Bound Radical: AParamagnetic Reconciliation

Journal: Current Chemical Biology
Volume: 15 Issue: 4 Year: 2021 Page: 319-330
Author(s):

Synthesis and Template Studies of New Aza Macrocycles and one Cryptand Based on 2,6-diaminopyridine and its Computational NMR Studies Using Density Functional Theory

Journal: Letters in Organic Chemistry
Volume: 10 Issue: 4 Year: 2013 Page: 256-262
Author(s): Abbas Shockravi, Mahmood Kamali, Hadi Behzadi, Somayeh Pahlavan Moghanlo, Mahdieh Nategholeslam

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