Search Result "MESP"

DFT Study on Some Natural Products: Triclisine, Rufescine, and Imerubrine

Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010007

Research Article

Design, Synthesis, and Quantum Chemical Calculations of 2,6-Diphenylspiro[cyclohexane-1,3’-pyrido[1,2-a]pyrimidine]-2’,4,4’-trione through DFT approach

Journal: Letters in Organic Chemistry
Volume: 16 Issue: 12 Year: 2019 Page: 983-995
Author(s): Roop Kumar,Poornima Devi,Anil K. Verma,Abha Bishnoi

Research Article

Synthesis, Antifungal Evaluation of 3-[{(1-aminomethyl) -5,7-dimethyl-2-oxoindolin-3-ylidene} amino]-2-phenylquinazolin-4(3H)-ones and theirNLO, MESP, Global Reactivity Descriptor, and AIM Study through DFTApproach

Journal: Letters in Organic Chemistry
Volume: 20 Issue: 4 Year: 2023 Page: 326-336
Author(s): Aniruddh Prasad Chaudhary,Sudhir Kumar Srivastava

DFT Study on an Unnatural Amino Acid: 4- Hydroxyproline

Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010006

Research Article

Identification of Potential Dual Negative Allosteric Modulators of Group I mGluR Family: A Shape Based Screening, ADME Prediction, Induced Fit Docking and Molecular Dynamics Approach Against Neurodegenerative Diseases

Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 2 Year: 2019 Page: 2687-2707
Author(s): Sitrarasu Vijaya Prabhu,Sanjeev Kumar Singh

Applications of DFT on Molecular Systems: How Gaussian Works

Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010004

Research Article

Computational and Experimental Investigations of 7-(4-nitrophenyl)benzo[6,7]chromeno[3,2-e]pyrido[1,2-a]pyrimidin-6(7h)-one

Journal: Letters in Organic Chemistry
Volume: 19 Issue: 9 Year: 2022 Page: 784-794
Author(s):

A Comprehensive DFT Study on a Thione Compound and its Tautomer

Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010008

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