I. Alswaidan

发表

Triphenylamine-based fluorescent NLO phores with ICT characteristics: Solvatochromic and theoretical study

P. Ramasami, N. Sekar, Santosh Katariya, 2017 .

Triphenylamine-Based Fluorescent Styryl Dyes: DFT, TD-DFT and Non-Linear Optical Property Study

P. Ramasami, N. Sekar, Santosh Katariya, 2017, Journal of Fluorescence.

A molecular electron density theory study of the [3 + 2] cycloaddition reaction of 1,4-diphosphorinium-3-olates with methyl acrylate and methyl methacrylate

L. Domingo, M. Ríos‐Gutiérrez, P. Ramasami, 2020, Theoretical Chemistry Accounts.

DFT exploration of [3 + 2] cycloaddition reaction of 1H-phosphorinium-3-olate and 1-methylphosphorinium-3-olate with methyl methacrylate

L. Domingo, M. Ríos‐Gutiérrez, P. Ramasami, 2018, RSC advances.

[3+2] Cycloaddition reaction of 1H-phosphorinium-3-olate and 1-methylphosphorinium-3-olate with methyl acrylate: A DFT study

L. Domingo, M. Ríos‐Gutiérrez, H. Fun, 2016 .

Effect of methoxy group on NLOphoric properties of fluorescent 7-arylstyryl-2-methoxyphenylimidazo[1,2-a]pyridine - Solvatochromic and computational method

P. Ramasami, N. Sekar, L. Rhyman, 2018, Journal of Molecular Structure.

Structural and spectroscopic parameters of CnF2+ (n = 1–5): Insights using MP2/CBS method

P. Ramasami, L. Rhyman, I. Alswaidan, 2017 .

Structural, Spectroscopic, and Energetic Parameters of Diatomic Molecules Having Astrophysical Importance

P. Ramasami, L. Rhyman, I. Alswaidan, 2017 .

Synthesis, structural, thermal, Hirshfeld surface and DFT studies on a new hybrid compound: bis[4-(dimethylamino)pyridinium] tetrachloridomanganate(II)

P. Ramasami, S. Bouacida, I. Alswaidan, 2020 .

Probing the structural and electronic properties of doped gallium oxide and sulfide, M(GaX2)2 where M = alkali or coinage metal; X = O, S

H. Fun, P. Ramasami, I. Alswaidan, 2015 .

Exploring the potential energy surface of novel [H, S, Se, Br] species: a high level first principle study

P. Ramasami, L. Rhyman, I. Alswaidan, 2017, Journal of Molecular Modeling.

Density Functional Theory Study of Cyanoetheneselenol: A Molecule of Astrobiological Interest

D. K. Ramanah, H. Fun, P. Ramasami, 2015, Origins of Life and Evolution of Biospheres.

Structural, spectroscopic and energetic parameters of P-bearing species having astrophysical importance

H. Fun, P. Ramasami, L. Rhyman, 2015 .

Molecular and NLO Properties of Red Fluorescent Coumarins – DFT Computations Using Long-Range Separated and Conventional Functionals

P. Ramasami, N. Sekar, Santosh Katariya, 2018, Journal of Fluorescence.

Theoretical insight into the effect of fluorine substituents on the rearrangement step in Fischer indolisations

H. Fun, P. Ramasami, J. Joule, 2015 .

Ab initio studies on cyanoacetylenes of astrochemical interest: [Y(CC)CN, Y C2H5, C3H7, C4H9, F, Cl, Br and CN]

D. K. Ramanah, H. Fun, P. Ramasami, 2016 .

Synthesis, characterization, antimicrobial screening and computational studies of 4-[3-(4-methoxy-phenyl)-allylideneamino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

H. Fun, P. Ramasami, L. N. Obasi, 2016 .

Internal Rotation of 2-, 3- and 4-Pyridine Carboxaldehydes and Their Chalcogen Analogues (S and Se) in the Gas and Solution Phases: A Theoretical Investigation

Y. Umar, H. Fun, P. Ramasami, 2016, Journal of Solution Chemistry.

Density Functional Theory Study of Cyanoetheneselenol: A Molecule of Astrobiological Interest

D. K. Ramanah, H. Fun, P. Ramasami, 2015, Origins of Life and Evolution of Biospheres.

TD-DFT Investigation of 2,5-Bis(2-benzothiazolyl)hydroquinone and 2,5-Bis(benzo[d]thiazol-2-yl)-4-methoxyphenol

P. Ramasami, N. Sekar, L. Rhyman, 2017, Journal of Solution Chemistry.

Ingenious bioorganic adsorbents for the removal of distillery based pigment-melanoidin: preparation and adsorption mechanism

P. Ramasami, L. Rhyman, I. Alswaidan, 2019, Journal of Macromolecular Science, Part A.

Synthesis, characterization, DFT and antimicrobial studies of transition metal ion complexes of a new schiff base ligand, 5-methylpyrazole-3yl-N-(2́-hydroxyphenylamine)methyleneimine, (MPzOAP)

Susmita Mandal, P. Ramasami, M. Das, 2019, Journal of Molecular Structure.

1-Formyl-3-phenyl-5-(4-isopropylphenyl)-2-pyrazoline: Synthesis, characterization, antimicrobial activity and DFT studies

P. Ramasami, N. Kazanci, D. Luneau, 2016 .

Copper(I)-catalysed regioselective synthesis of pyrazolo[5,1-c]-1,2,4-triazoles: A DFT mechanistic study

A. Katritzky, L. Domingo, M. Ríos‐Gutiérrez, 2017 .

Biological effects of a new set 1,2,4-triazolo[1,5-a]quinazolines on heart rate and blood pressure

R. Al-Salahi, M. Marzouk, Nabih Lolak, 2014, Chemistry Central Journal.

Antiviral activities of some synthesized methylsulfanyltriazoloquinazoline derivatives

A. Amr, M. Al-Omar, R. Al-Salahi, 2013, Research on Chemical Intermediates.

Spectroscopic investigations, NBO, HOMO-LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione , a potential bioactive agent

Y. Mary, A. Al‐Saadi, C. Alsenoy, 2015 .

An Alternative Route for Synthesis of Chiral 4-Substituted 1-Arenesulfonyl-2-imidazolidinones: Unusual Utility of (4S,5S)- and (4R,5R)-4,5-Dimethoxy-2-imidazolidinones and X-Ray Crystallography

A. Alanazi, I. Alswaidan, A. Abdel-Aziz, 2013 .

2, 4-Ditellurouracil and its 5-fluoro derivative: Theoretical investigations of structural, energetics and ADME parameters

Ponnadurai Ramasami, Lydia Rhyman, Mohamed I. Elzagheid, 2017, Comput. Biol. Chem..

Synthesis and Conformational Analysis of Sterically Congested (4R)-(−)-1-(2,4,6-Trimethylbenzenesulfonyl)-3-n-butyryl-4-tert-butyl-2-imidazolidinone: X-Ray Crystallography and Semiempirical Calculations

A. Alanazi, I. Alswaidan, A. Abdel-Aziz, 2014 .

Molecular and NLO Properties of Red Fluorescent Coumarins – DFT Computations Using Long-Range Separated and Conventional Functionals

P. Ramasami, N. Sekar, Santosh Katariya, 2018, Journal of Fluorescence.

Cytotoxicity Evaluation of a New Set of 2-Aminobenzo[de]iso-quinoline-1,3-diones

R. Al-Salahi, M. Marzouk, I. Alswaidan, 2014, International Journal of Molecular Sciences.

Docking and Antiherpetic Activity of 2-Aminobenzo[de]-isoquinoline-1,3-diones

R. Al-Salahi, M. Elaasser, H. Ghabbour, 2015, Molecules.

Antihistamine Activity of 1,2,4-Triazolo[1,5-a]quinazolines

R. Al-Salahi, M. Marzouk, D. Saleh, 2014 .

3-Iodobenzaldehyde: XRD, FT-IR, Raman and DFT studies.

H. Fun, P. Ramasami, L. Rhyman, 2015, Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy.

Understanding the Intramolecular Diels‐Alder Reactions of N‐Substituted N‐Allyl‐Furfurylamines: An MEDT Study

L. Domingo, M. Ríos‐Gutiérrez, P. Ramasami, 2017 .

A comparative ab initio study to investigate the rich structural variety and electronic properties of GamTen (m = 1, 2 and n = 1–4) with analogous oxides, sulfides and selenides

H. Fun, P. Ramasami, I. Alswaidan, 2015 .

Spectroscopic and DFT approach for structure property relationship of red emitting rhodamine analogues: A study of linear and nonlinear optical properties

P. Ramasami, N. Sekar, L. Rhyman, 2018 .

2, 4-Ditellurouracil and its 5-fluoro derivative: Theoretical investigations of structural, energetics and ADME parameters

P. Ramasami, D. Ndinteh, L. Rhyman, 2017, Comput. Biol. Chem..