引用次数
引用: 2,504
H-指数: 31
I10-指数 : 63
出版物: 105
Pyrimethamine-Based Novel Co-Crystal Salt: Synthesis, Single-Crystal Investigation, Hirshfeld surface analysis and DFT inspection of the 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4-dichlorobenzoate (1:1) (DECB)
Muhammad Nawaz Tahir , Akbar Ali , Muhammad Ashfaq , Georgii Bogdanov
Journal of Molecular Structure 1235 130215
23
2021
Synthesis of Diaminopyrimidine Sulfonate Derivatives and Exploration of Their Structural and Quantum Chemical Insights via SC-XRD and the DFT Approach.
Muhammad Nawaz Tahir , Riaz Hussain , Mohammed A. Assiri , Mohammed A. Assiri
ACS omega 6 ( 10) 7047 -7057
34
2021
Key Electronic, Linear and Nonlinear Optical Properties of Designed Disubstituted Quinoline with Carbazole Compounds.
Muhammad Khalid , Amjad Hussain , Muhammad Usman Khan , Sumreen Asim
Molecules 26 ( 9) 2760
13
2021
β-Hydroxy Carbonyl Compounds Via Aldol Reaction: Single Crystal Investigation and Quantum Chemical Exploration for the Unveiling of Supramolecular Behavior
Edson Rodrigues-Filho , Ataualpa Albert Carmo Braga , Muhammad Khalid , Muhammad Nadeem Akhtar
Journal of Molecular Structure 130650
6
2021
Exploration of Structural, Electronic and Third Order Nonlinear Optical Properties of Crystalline Chalcone Systems: Monoarylidene and Unsymmetrical Diarylidene Cycloalkanones
Muhammad Ashfaq , Hafiz Muhammad Asif , Muhammad Khalid , Muhammad Imran
Journal of Molecular Structure 130685
11
2021
4-Benzyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis.
Julio Zukerman-Schpector , Sofia Dallasta Pedroso , Lucas Sousa Madureira , Márcio Weber Paixão
Acta Crystallographica Section E: Crystallographic Communications 73 ( 11) 1716 -1720
11
2017
7-Methyl-5-[(4-methyl-benzene)-sulfon-yl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis.
Akbar Ali , Julio Zukerman-Schpector , Márcio Weber Paixão , Mukesh M. Jotani
Acta Crystallographica Section E: Crystallographic Communications 74 ( 2) 184 -188
9
2018
A study of the cis–trans isomerization preference of N-alkylated peptides containing phosphorus in the side chain and backbone
Alexander F. de la Torre , Akbar Ali , Odette Concepcion , Ana L. Montero-Alejo
New Journal of Chemistry 43 ( 32) 12804 -12813
1
2019
Stabilization of Supramolecular Assembly of N‐Substituted Benzylidene Acetohydrazide Analogs by Non‐Covalent Interactions: A Concise Experimental and Theoretical Approach
Muhammad Khalid , Akbar Ali , Jahrukh Tariq , Muhammad Nawaz Tahir
ChemistrySelect 5 ( 34) 10618 -10631
16
2020
Facile Ultrasound‐Based Synthesis, SC‐XRD, DFT Exploration of the Substituted Acyl‐Hydrazones: An Experimental and Theoretical Slant towards Supramolecular Chemistry
Muhammad Khalid , Akbar Ali , Saba Abid , Muhammad Nawaz Tahir
ChemistrySelect 5 ( 47) 14844 -14856
1
2020
Facile Synthesis, Spectral (IR, Mass, UV-Vis, NMR), Linear and Nonlinear Investigation of the Novel Phosphonate Compounds: A Combined Experimental and Simulation Study
Muhammad Khalid , Akbar Ali , Alexander F. De la Torre , Kelly P. Marrugo
Chemistryselect 5 ( 10) 2994 -3006
4
2020
Efficient Synthesis by Mono‐Carboxy Methylation of 4,4′‐Biphenol, X‐ray Diffraction, Spectroscopic Characterization and Computational Study of the Crystal Packing of Ethyl 2‐((4′‐hydroxy‐[1,1′‐biphenyl]‐4‐yl)oxy)acetate
Burhan Khan , Muhammad Khalid , Muhammad Raza Shah , Muhammad Nawaz Tahir
ChemistrySelect 4 ( 32) 9274 -9284
15
2019
Green Synthesis, SC-XRD, Non-Covalent Interactive Potential and Electronic Communication via DFT Exploration of Pyridine-Based Hydrazone
Akbar Ali , Muhammad Khalid , Saba Abid , Muhammad Nawaz Tahir
Crystals 10 ( 9) 778
19
2020
O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation
Muhammad Khalid , Akbar Ali , Sadia Haq , Muhammad Nawaz Tahir
Journal of Molecular Structure 1224 129308
28
2021
Single crystal investigation, Hirshfeld surface analysis and DFT exploration of the pyrimethamine-based novel organic salt: 2, 4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3-carboxybenzoate hydrate (1:1:1)
Muhammad Ashfaq , Georgii Bogdanov , Viktor Glebov , Akbar Ali
Journal of Molecular Structure 1224 129309
41
2021
Rationalizing the stability and interactions of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-hydroxy-3,5-dinitrobenzoate salt
Muhammad Nawaz Tahir , Muhammad Ashfaq , Alexander F. de la Torre , Julio Caballero
Journal of Molecular Structure 1193 185 -194
22
2019
Structural parameters, electronic, linear and nonlinear optical exploration of thiopyrimidine derivatives: A comparison between DFT/TDDFT and experimental study
Ajaz Hussain , Muhammad Usman Khan , Muhammad Ibrahim , Muhammad Khalid
Journal of Molecular Structure 1201 127183
20
2020
Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies
Sobia Tariq , Abdul Rauf Raza , Muhammad Khalid , Syeda Laila Rubab
Journal of Molecular Structure 1203 127438
38
2020
Facile preparation, characterization, SC-XRD and DFT/DTDFT study of diversely functionalized unsymmetrical bis-aryl-α, β-unsaturated ketone derivatives
Muhammad Khalid , Akbar Ali , Muhammad Adeel , Zia Ud Din
Journal of Molecular Structure 1206 127755
39
2020
Spectroscopic and DFT/TDDFT insights of the novel phosphonate imine compounds
Akbar Ali , Muhammad Khalid , Kelly P. Marrugo , Ghulam Mustafa Kamal
Journal of Molecular Structure 1207 127838
3
2020