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Structure-based predictions of 13C-NMR chemical shifts for a series of 2-functionalized 5-(methylsulfonyl)-1-phenyl-1H-indoles derivatives using GA-based MLR method

Jan 19, 2026 12:10:41 PM

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Semi-Empirical Topological Method for Prediction of the Relative Retention Time of Polychlorinated Biphenyl Congeners on 18 Different HR GC Columns

Jan 19, 2026 12:10:41 PM

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QSRR-Based Evaluating and Predicting of the Relative Retention Time of Polychlorinated Biphenyl Congeners on 18 Different High Resolution GC Columns

Jan 19, 2026 12:10:41 PM

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QSRR Models for Kova´ ts’ Retention Indices of a Variety of Volatile Organic Compounds on Polar and Apolar GC Stationary Phases Using Molecular Connectivity Indexes

Jan 19, 2026 12:10:41 PM

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Electrocatalytic Reduction of H2O2 and Oxygen on the Surface of Thionin Incorporated onto MWCNTs Modified Glassy Carbon Electrode: Application to Glucose Detection

Jan 19, 2026 12:10:41 PM

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Highly correlating distance/connectivity-based topological indices 5. Accurate prediction of liquid density of organic molecules using PCR and PC-ANN

Jan 19, 2026 12:10:41 PM

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Application of Chemometrics and Quantum Chemical Calculations to the Study of Complexation Equilibria Between 1,8-Bis(o-aminophenoxy)-3,6-dioxaoctane and Some Transition and Heavy Metal Ions in Acetonitrile Solution

Jan 19, 2026 12:10:41 PM

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Highly correlating distance-connectivity-based topological indices. 4: Stepwise factor selection-based PCR models For QSPR study Of 14 properties of monoalkenes

Jan 19, 2026 12:10:41 PM

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Highly correlating distance-connectivity based topological indices 2: Prediction of 15 properties of a large set of alkanes using a stepwise factor selection-based PCR analysis

Jan 19, 2026 12:10:41 PM

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Highly correlating distance-connectivity based topological indices 3: PCR and PC-ANN based prediction of the octanol-water partition coefficient of diverse organic molecules

Jan 19, 2026 12:10:41 PM

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Solvatochromic linear alvation energy relationships (LSER) for solubility of gases in various solvents by target factor analysis

Jan 19, 2026 12:10:41 PM

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Net analyte signal-based simultaneous determination of antazoline and naphazoline using wavelength region selection by experimental design-neural networks

Jan 19, 2026 12:10:41 PM

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Simultaneous determination of phenol and mononitrophenol isomers using PLS regression and conventional and derivative spectrophotometry

Jan 19, 2026 12:10:42 PM

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Spectrophotometric Study of Cobalt, Nickel, Copper, Zinc and Lead Complexes with Methylthymol Blue in Binary Water-Methanol Mixtures

Jan 19, 2026 12:10:42 PM

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Genetic algorithm as a variable selection procedure for the simulation of 13C nuclear magnetic resonance spectra of flavonoid derivatives using multiple linear regression

Jan 19, 2026 12:10:42 PM

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Chemometrics-Assisted Spectrophotometric Methods for Simultaneous Determination and Complexation Study of Fe(III), Al(III) and V(V) With Morin in Micellar Media

Jan 19, 2026 12:10:42 PM

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A facil conversion of epoxides to Halohydrins with elemental halogen using Isonicotinic Hydrazide (isoniazide) as a new catalyst.

Jan 19, 2026 12:10:42 PM

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The 24th Iranian Physical Chemistry Conference

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20th Iranian Physical Chemistry Conference

Jan 19, 2026 12:10:42 PM

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The 8th International Conference on Theory of Atomic & Molecular Clusters

Jan 19, 2026 12:10:42 PM

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Sixth Theoretical and Computational Chemistry Workshop TCCW 2017

Jan 19, 2026 12:10:42 PM

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17th Iranian Physical Chemistry Conference

Jan 19, 2026 12:10:42 PM

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17th Iranian Physical Chemistry Conference

Jan 19, 2026 12:10:42 PM

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17th Iranian Physical Chemistry Conference

Jan 19, 2026 12:10:42 PM

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17th Iranian Physical Chemistry Conference

Jan 19, 2026 12:10:42 PM

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17th Iranian Physical Chemistry Conference

Jan 19, 2026 12:10:43 PM

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17th Iranian Physical Chemistry Conference

Jan 19, 2026 12:10:43 PM

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The 16th Iranian Chemistry Congress

Jan 19, 2026 12:10:43 PM

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16th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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16th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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16th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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16th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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16th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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16th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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15th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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14th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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14th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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14th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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14th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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The 10th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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8th Iranain Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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2nd International Congress on Nanoscience & Nanotechnology

Jan 19, 2026 12:10:43 PM

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12thIran. Physical Chem. Seminar

Jan 19, 2026 12:10:43 PM

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11th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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11th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:43 PM

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هفتمين سمينار شيمي فيزيك ايران

Jan 19, 2026 12:10:43 PM

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2nd International Congress on Nanoscience & Nanotechnology

Jan 19, 2026 12:10:44 PM

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11th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:44 PM

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The 10th Iranian Physical Chemistry Seminar

Jan 19, 2026 12:10:44 PM

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هفتمين سمينار شيمي فيزيك ايران

Jan 19, 2026 12:10:44 PM

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World and 9th Asian Chemical Congress (WCC IUPAC)

Jan 19, 2026 12:10:44 PM

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Unveiling the dynamic and thermodynamic interactions of hydrocortisone with β‑cyclodextrin and its methylated derivatives through insights from molecular dynamics simulations

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Structural characterization and thermodynamic behavior of melittin-derived peptide interactions with gram-positive bacterial cell membranes using molecular dynamics simulation

May 2, 2026 11:08:51 AM

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Insight into 1:1 complexes of H2O with NF3 and CF2Cl2: a quantum chemical approach

Jan 19, 2026 12:10:44 PM

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Theoretical insight into a feasible strategy of capturing, storing and releasing toxic HCN at the surface of doped BN-sheets by charge modulation

Jan 19, 2026 12:10:44 PM

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DFT study of charge-controlled mechanism of water molecule dissociation on vacancy defected boron nitride nanosheets

Jan 19, 2026 12:10:44 PM

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Theoretical study of adsorption of ethanol and acetone molecules by perfect and defected h-BN nanosheet

Jan 19, 2026 12:10:44 PM

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Investigation of benzodiazepines (BZDs) in a DPPC lipid bilayer: Insights from molecular dynamics simulation and DFT calculations

Jan 19, 2026 12:10:44 PM

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Adsorption and growth of palladium clusters on graphdiyne

Jan 19, 2026 12:10:44 PM

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The partition and transport behavior of cytotoxic ionic liquids (ILs) through the DPPC bilayer: Insights from molecular dynamics simulation

Jan 19, 2026 12:10:44 PM

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