Computational Chemistry: Sulfamic Acid Catalyzed PEG-400 Mediated Synthesis, Molecular Structure, HOMO–LUMO, UV-visible, Vibrational, and Reactivity Descriptors Analysis of 2-(Furan-2-yl)-1H-benzo[d]imidazole

Combined experimental (FT-IR, UV–visible spectra, NMR) and theoretical studies on the molecular structure, vibrational spectra, HOMO, LUMO, MESP surfaces, reactivity descriptor and molecular docking of Phomarin

Journal of Molecular Structure ◽

10.1016/j.molstruc.2015.04.031 ◽

2015 ◽

Vol 1096 ◽

pp. 94-101 ◽

Cited By ~ 32

Author(s):

Abhishek Kumar ◽

Ambrish Kumar Srivastava ◽

Shashi Gangwar ◽

Neeraj Misra ◽

Avijit Mondal ◽

...

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Vibrational Spectra ◽

Theoretical Studies ◽

Visible Spectra ◽

Reactivity Descriptor ◽

Ft Ir ◽

Uv Visible ◽

Molecular structure, NMR, UV–Visible, vibrational spectroscopic and HOMO, LUMO analysis of (E)-1-(2, 6-bis (4-methoxyphenyl)-3, 3-dimethylpiperidine-4-ylidene)-2-(3-(3, 5-dimethyl-1H-pyrazol-1-yl) pyrazin-2-yl) hydrazine by DFT method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2015.11.005 ◽

2016 ◽

Vol 1106 ◽

pp. 277-285 ◽

Cited By ~ 9

Author(s):

A.Therasa Alphonsa ◽

C. Loganathan ◽

S.Athavan Alias Anand ◽

S. Kabilan

Keyword(s):

Molecular Structure ◽

Dft Method ◽

Uv Visible ◽

Studies on molecular structure, UV-visible and HOMO-LUMO analyses of coumarin dye using DFT computational methods

10.1063/5.0060877 ◽

2021 ◽

Author(s):

B. Shivaleela ◽

S. M. Hanagodimath

Keyword(s):

Molecular Structure ◽

Computational Methods ◽

Uv Visible ◽

Coumarin Dye ◽

Sulfamic Acid-catalyzed One-pot Multicomponent Synthesis of 5-phenyl-2- thioxo-1,2,3,5-tetrahydro-4H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin- 4-ones

Current Green Chemistry ◽

10.2174/2213346103666161115124757 ◽

2017 ◽

Vol 3 (3) ◽

pp. 227-234 ◽

Cited By ~ 2

Author(s):

Sunetra Jadhav ◽

Ajinkya Patravale ◽

Reshma Patil ◽

Digambar Kumbhar ◽

Vishram Karande ◽

...

Keyword(s):

Sulfamic Acid ◽

Multicomponent Synthesis ◽

One Pot ◽

Molecular structure, FT Raman, IR, NLO, NBO, HOMO-LUMO analysis, physicochemical descriptors, ADME parameters, pharmacokinetic Bioactivity report on 2, 3, 5, 6 –Tetra Chloro-P- Benzoquinone

Журнал структурной химии ◽

10.26902/jsc_id79909 ◽

2021 ◽

Vol 62 (9) ◽

Author(s):

A. Suvitha ◽

M.A.M. El-Mansy ◽

G. Kothandan ◽

A. Steephen

Keyword(s):

Molecular Structure ◽

Physicochemical Descriptors ◽

Homo Lumo ◽

Ft Raman

Molecular structure, vibrational spectra, NBO analysis, first hyperpolarizability, and HOMO, LUMO studies of mesityl chloride by density functional methods

Journal of Molecular Structure ◽

10.1016/j.molstruc.2011.10.035 ◽

2012 ◽

Vol 1007 ◽

pp. 136-145 ◽

Cited By ~ 21

Author(s):

V. Balachandran ◽

K. Parimala

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Nbo Analysis ◽

First Hyperpolarizability ◽

Density Functional Methods ◽

Functional Methods ◽

Sulfamic Acid-Catalyzed Multicomponent One-Pot Synthesis of Poly-Substituted Pyridines and Their Antimicrobial Activity

Journal of Heterocyclic Chemistry ◽

10.1002/jhet.1564 ◽

2013 ◽

pp. n/a-n/a

Author(s):

B. Janardhan ◽

S. Vijayalaxmi ◽

B. Rajitha

Keyword(s):

Antimicrobial Activity ◽

Sulfamic Acid ◽

One Pot ◽

One Pot Synthesis ◽

Substituted Pyridines ◽

Valorization of Chitosan as Food Waste of Aquatic Organisms into 5-Hydroxymethylfurfural by Sulfamic Acid-Catalyzed Conversion Process

Energy Technology ◽

10.1002/ente.201700868 ◽

2018 ◽

Vol 6 (9) ◽

pp. 1747-1754 ◽

Cited By ~ 3

Author(s):

Hyo Seon Kim ◽

Mi-Ra Park ◽

Young Jae Jeon ◽

Sung-Koo Kim ◽

Yong-Ki Hong ◽

...

Keyword(s):

Food Waste ◽

Sulfamic Acid ◽

Aquatic Organisms ◽

Conversion Process ◽

Theoretical investigations on molecular structure, vibrational spectra, HOMO, LUMO, NBO analysis and hyperpolarizability calculations of thiophene-2-carbohydrazide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.08.091 ◽

2014 ◽

Vol 118 ◽

pp. 321-330 ◽

Cited By ~ 25

Author(s):

V. Balachandran ◽

A. Janaki ◽

A. Nataraj

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Nbo Analysis ◽

Theoretical Investigations ◽

Sulfamic Acid‐Catalyzed One‐Pot Synthesis of a New Series of Biologically Relevant Indole‐Uracil Molecular Hybrids in Water at Room Temperature

ChemistrySelect ◽

10.1002/slct.201800488 ◽

2018 ◽

Vol 3 (12) ◽

pp. 3400-3405 ◽

Cited By ~ 9

Author(s):

Goutam Brahmachari ◽

Sanchari Begam ◽

Khondekar Nurjamal

Keyword(s):

Room Temperature ◽

Sulfamic Acid ◽

One Pot ◽

Biologically Relevant ◽

One Pot Synthesis ◽

Molecular Hybrids ◽