On the public citation graph
Electrostatics does not dictate the slip-stacked arrangement of aromatic π–π interactions
0 signed · 209 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470684306openalex-snapshot
Molecular Orbitals and Organic Chemical Reactions
inferredcites →https://doi.org/10.1002/9780470689493openalex-snapshot
Molecular Orbitals and Organic Chemical Reactions
inferredcites →https://doi.org/10.1002/anie.200390319openalex-snapshot
Interactions with Aromatic Rings in Chemical and Biological Recognition
inferredcites →https://doi.org/10.1002/anie.200705157openalex-snapshot
Do Special Noncovalent π–π Stacking Interactions Really Exist?
inferredcites →https://doi.org/10.1002/anie.201503476openalex-snapshot
London Dispersion in Molecular Chemistry—Reconsidering Steric Effects
inferredcites →https://doi.org/10.1002/qua.25345openalex-snapshot
Highly accurate benchmark calculations of the interaction energies in the complexes C6H6···C6X6 (X = F, Cl, Br, and I)
inferredcites →https://doi.org/10.1002/slct.201700671openalex-snapshot
σ‐σ, σ‐π, and π‐π Stacking Interactions between Six‐Membered Cyclic Systems. Dispersion Dominates and Electrostatics Commands
inferredcites →https://doi.org/10.1002/wcms.1164openalex-snapshot
Symmetry‐adapted perturbation theory based on density functional theory for noncovalent interactions
inferredcites →https://doi.org/10.1002/wcms.1452openalex-snapshot
Recent developments in symmetry‐adapted perturbation theory
inferredcites →https://doi.org/10.1002/wcms.84openalex-snapshot
Wavefunction methods for noncovalent interactions
inferredcites →https://doi.org/10.1002/wcms.86openalex-snapshot
Symmetry‐adapted perturbation theory of intermolecular forces
inferredcites →https://doi.org/10.1016/0009-2614(81)85228-1openalex-snapshot
The electric quadrupole moments of benzene and hexafluorobenzene
inferredcites →https://doi.org/10.1016/c2014-1-01941-2openalex-snapshot
Comprehensive Supramolecular Chemistry II
inferredcites →https://doi.org/10.1016/j.pbiomolbio.2007.03.016openalex-snapshot
Geometry of nonbonded interactions involving planar groups in proteins
inferredcites →https://doi.org/10.1021/acs.cgd.8b01630openalex-snapshot
The Nature and Applications of π–π Interactions: A Perspective
inferredcites →https://doi.org/10.1021/acs.chemrev.6b00446openalex-snapshot
First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications
inferredcites →https://doi.org/10.1021/acs.jctc.8b00058openalex-snapshot
Atomic Orbital Implementation of Extended Symmetry-Adapted Perturbation Theory (XSAPT) and Benchmark Calculations for Large Supramolecular Complexes
inferredcites →https://doi.org/10.1021/acs.jpclett.9b01156openalex-snapshot
Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion
inferredcites →https://doi.org/10.1021/acsomega.9b02992openalex-snapshot
Toward Predictive Molecular Dynamics Simulations of Asphaltenes in Toluene and Heptane
inferredcites →https://doi.org/10.1021/ar00035a005openalex-snapshot
The molecular electric quadrupole moment and solid-state architecture
inferredcites →https://doi.org/10.1021/ar3000844openalex-snapshot
Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems
inferredcites →https://doi.org/10.1021/ar300109nopenalex-snapshot
Understanding Substituent Effects in Noncovalent Interactions Involving Aromatic Rings
inferredcites →https://doi.org/10.1021/ar3001124openalex-snapshot
Energy Component Analysis of π Interactions
inferredcites →https://doi.org/10.1021/cr00031a008openalex-snapshot
Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes
inferredcites →https://doi.org/10.1021/ct100182uopenalex-snapshot
How Different are Electron-Rich and Electron-Deficient π Interactions?
inferredcites →https://doi.org/10.1021/ct900344gopenalex-snapshot
Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes
inferredcites →https://doi.org/10.1021/ja00170a016openalex-snapshot
The nature of .pi.-.pi. interactions
inferredcites →https://doi.org/10.1021/ja025896hopenalex-snapshot
Estimates of the Ab Initio Limit for π−π Interactions: The Benzene Dimer
inferredcites →https://doi.org/10.1021/ja049434aopenalex-snapshot
Substituent Effects in π−π Interactions: Sandwich and T-Shaped Configurations
inferredcites →https://doi.org/10.1021/ja202932eopenalex-snapshot
Local Nature of Substituent Effects in Stacking Interactions
inferredcites →https://doi.org/10.1021/ja204294qopenalex-snapshot
Origin of the Surprising Enhancement of Electrostatic Energies by Electron-Donating Substituents in Substituted Sandwich Benzene Dimers
inferredcites →https://doi.org/10.1021/ja303676qopenalex-snapshot
A Benchmark Comparison of σ/σ and π/π Dispersion: the Dimers of Naphthalene and Decalin, and Coronene and Perhydrocoronene
inferredcites →https://doi.org/10.1021/ja5101245openalex-snapshot
Quantum-Mechanical Evaluation of π–π versus Substituent−π Interactions in π Stacking: Direct Evidence for the Wheeler–Houk Picture
inferredcites →https://doi.org/10.1021/ja802849jopenalex-snapshot
Substituent Effects in the Benzene Dimer are Due to Direct Interactions of the Substituents with the Unsubstituted Benzene
inferredcites →https://doi.org/10.1021/jo061235hopenalex-snapshot
Substituent Effects in C6F6C6H5X Stacking Interactions
inferredcites →https://doi.org/10.1021/jp0469517openalex-snapshot
Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer: Sandwich, T-Shaped, and Parallel-Displaced Configurations
inferredcites →https://doi.org/10.1021/jp054461oopenalex-snapshot
Intermolecular Interaction between Hexafluorobenzene and Benzene: Ab Initio Calculations Including CCSD(T) Level Electron Correlation Correction
inferredcites →https://doi.org/10.1021/jp064095oopenalex-snapshot
Potential Energy Surface for the Benzene Dimer and Perturbational Analysis of π−π Interactions
inferredcites →https://doi.org/10.1021/jp504415popenalex-snapshot
Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings
inferredcites →https://doi.org/10.1021/jp5098603openalex-snapshot
Accurate and Efficient Quantum Chemistry Calculations for Noncovalent Interactions in Many-Body Systems: The XSAPT Family of Methods
inferredcites →https://doi.org/10.1021/jp809062xopenalex-snapshot
Effects of Heteroatoms on Aromatic π−π Interactions: Benzene−Pyridine and Pyridine Dimer
inferredcites →https://doi.org/10.1021/jp9099495openalex-snapshot
Accurately Characterizing the π−π Interaction Energies of Indole−Benzene Complexes
inferredcites →https://doi.org/10.1039/b718519gopenalex-snapshot
Thermodynamics of stacking interactions in proteins
inferredcites →https://doi.org/10.1039/c2cp24060bopenalex-snapshot
Rapid computation of intermolecular interactions in molecular and ionic clusters: self-consistent polarization plus symmetry-adapted perturbation theory
inferredcites →https://doi.org/10.1039/c6ce02581aopenalex-snapshot
Investigation of the phase behaviour of the 1 : 1 adduct of mesitylene and hexafluorobenzene
inferredcites →https://doi.org/10.1039/c6cp03784dopenalex-snapshot
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
inferredcites →https://doi.org/10.1039/c8ce01187gopenalex-snapshot
The temperature dependence of C–H⋯F–C interactions in benzene : hexafluorobenzene
inferredcites →https://doi.org/10.1039/c9ce00541bopenalex-snapshot
Influence of methyl-substitution on the dynamics of the C–H⋯F–C interaction in binary adducts
inferredcites →https://doi.org/10.1039/c9cp02966dopenalex-snapshot
Stacking interactions of borazine: important stacking at large horizontal displacements and dihydrogen bonding governed by electrostatic potentials of borazine
inferredcites →https://doi.org/10.1063/1.2890968openalex-snapshot
Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme
inferredcites →https://doi.org/10.1063/1.3479400openalex-snapshot
Efficient evaluation of triple excitations in symmetry-adapted perturbation theory via second-order Møller–Plesset perturbation theory natural orbitals
inferredcites →https://doi.org/10.1063/1.4867135openalex-snapshot
Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies
inferredcites →https://doi.org/10.1063/1.4942921openalex-snapshot
Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies
inferredcites →https://doi.org/10.1063/1.5111869openalex-snapshot
Self-consistent charge embedding at very low cost, with application to symmetry-adapted perturbation theory
inferredcites →https://doi.org/10.1080/00268970802537614openalex-snapshot
Origin of substituent effects in edge-to-face aryl–aryl interactions
inferredcites →https://doi.org/10.1080/00268976.2014.952696openalex-snapshot
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
inferredcites →https://doi.org/10.3762/bjoc.14.125openalex-snapshot
Steric “attraction”: not by dispersion alone
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4895671openalex-extracted
The Effect of Π–Π Stacking Interactions on Curing Kinetics of Glass Flake Epoxy Coatings
inferred← citeshttps://doi.org/10.1002/adma.202500468openalex-snapshot
Proton‐Mediated Topological Interlayer Shift in 2D Covalent Organic Frameworks for Efficient Photocatalysis
inferred← citeshttps://doi.org/10.1002/aenm.202506608openalex-snapshot
Deciphering Molecular Structural Effect on Redox‐Mediated CO 2 Reduction Reaction Mechanisms for Aprotic Li‐CO 2 Batteries
inferred← citeshttps://doi.org/10.1002/aenm.71664openalex-snapshot
Molecularly Aligned Insoluble Nanoaggregates for Ah‐Level Aqueous Zinc‐Ion Batteries
inferred← citeshttps://doi.org/10.1002/ange.1681939openalex-snapshot
Dispersion‐Clamped Crystalline Supramolecular Columnar π‐Stacks of Adamantyl‐Substituted Pyrenes
inferred← citeshttps://doi.org/10.1002/ange.202204393openalex-snapshot
London Dispersion Favors Sterically Hindered Diarylthiourea Conformers in Solution
inferred← citeshttps://doi.org/10.1002/ange.202316364openalex-snapshot
Advances and Prospects in Understanding London Dispersion Interactions in Molecular Chemistry
inferred← citeshttps://doi.org/10.1002/ange.202403698openalex-snapshot
Advancing Pore‐Space‐Partitioned Metal–Organic Frameworks with Isoreticular Cluster Concept
inferred← citeshttps://doi.org/10.1002/ange.202422635openalex-snapshot
Isoreticular Tolerance and Phase Selection in the Synthesis of Multi‐Module Metal–Organic Frameworks for Gas Separation and Electrocatalytic OER
inferred← citeshttps://doi.org/10.1002/ange.6908076openalex-snapshot
Photoinduced Copper‐Catalyzed Stereoselective C(sp 3 )‐H Amination Enabled by Preorganized Multiple Noncovalent Interactions
inferred← citeshttps://doi.org/10.1002/anie.1681939openalex-snapshot
Dispersion‐Clamped Crystalline Supramolecular Columnar π‐Stacks of Adamantyl‐Substituted Pyrenes
inferred← citeshttps://doi.org/10.1002/anie.202204393openalex-snapshot
London Dispersion Favors Sterically Hindered Diarylthiourea Conformers in Solution
inferred← citeshttps://doi.org/10.1002/anie.202316364openalex-snapshot
Advances and Prospects in Understanding London Dispersion Interactions in Molecular Chemistry
inferred← citeshttps://doi.org/10.1002/anie.202403698openalex-snapshot
Advancing Pore‐Space‐Partitioned Metal–Organic Frameworks with Isoreticular Cluster Concept
inferred← citeshttps://doi.org/10.1002/anie.202422635openalex-snapshot
Isoreticular Tolerance and Phase Selection in the Synthesis of Multi‐Module Metal–Organic Frameworks for Gas Separation and Electrocatalytic OER
inferred← citeshttps://doi.org/10.1002/anie.6908076openalex-snapshot
Photoinduced Copper‐Catalyzed Stereoselective C(sp 3 )‐H Amination Enabled by Preorganized Multiple Noncovalent Interactions
inferred← citeshttps://doi.org/10.1002/chem.202102271openalex-snapshot
Hexaphenylditetrels – When Longer Bonds Provide Higher Stability
inferred← citeshttps://doi.org/10.1002/chem.202402867openalex-snapshot
The Changing Phases of Bromopentafluorobenzene
inferred← citeshttps://doi.org/10.1002/chem.202500810openalex-snapshot
Long‐Lived Excimer‐Like Emission From a π‐Stacked Trichromophore Comprising Perylene Monoimide and Perylene Diimide Units
inferred← citeshttps://doi.org/10.1002/chem.71286openalex-snapshot
Electronic Coupling in Cofacial Heterobimetallic AgCu‐Porphyrin Dimers: Bioinspired Analogs of Chlorophyll Special Pairs
inferred← citeshttps://doi.org/10.1002/chem.71787openalex-snapshot
Mapping the Energy Landscape of Polycyclic Aromatic Hydrocarbon π–π Stacking Using a High‐Precision Torsional Balance Based on the 13,14‐Diphenyl‐6,7‐dihydrodibenzo[b,j][4,7]Phenanthroline Scaffold
inferred← citeshttps://doi.org/10.1002/cphc.202300097openalex-snapshot
Rationalizing Aggregate Structures with Orbital Contributions to the Exchange‐Repulsion Energy**
inferred← citeshttps://doi.org/10.1002/cphc.202400235openalex-snapshot
Dispersion‐Driven Cooperativity in Alkyl Perylene Diimide Oligomers: Insights from Density Functional Theory
inferred← citeshttps://doi.org/10.1002/cphc.202400887openalex-snapshot
What is the Exchange Repulsion Energy? Insight by Partitioning into Physically Meaningful Contributions
inferred← citeshttps://doi.org/10.1002/ejic.202100583openalex-snapshot
The Quest for Large Group 13 Metallacalixarenes Based on Benzymidazolyl Ligands and Al and Ga Alkyls
inferred← citeshttps://doi.org/10.1002/ejoc.202200383openalex-snapshot
Host‐Guest Properties of a Trigonal Iminoboronate Ester Cage Self‐Assembled from Hexahydroxytriphenylene
inferred← citeshttps://doi.org/10.1002/qua.27051openalex-snapshot
Electron density and its reduced density gradient in the study of π–π interactions
inferred← citeshttps://doi.org/10.1002/slct.202405217openalex-snapshot
Molecular Simulations Assisted Analysis on Improved Free Radical Removal Ability of Fullerene(C 60 )–Curcumin Aggregates
inferred← citeshttps://doi.org/10.1007/430_2025_98openalex-snapshot
Extended Symmetry-Adapted Perturbation Theory (XSAPT): A Cubic-Scaling Platform for Computing Accurate Intermolecular Interaction Energies and ab Initio Energy Decomposition Analysis
inferred← citeshttps://doi.org/10.1007/978-981-96-5984-5_17openalex-snapshot
Interactions of Charge-Transfer Complexes and Molecular Alignment in Crystals
inferred← citeshttps://doi.org/10.1007/s00894-020-04533-yopenalex-snapshot
Computational study of the intermolecular interactions and their effect on the UV-visible spectra of the ternary liquid mixture of benzene, ethanol and propylene glycol
inferred← citeshttps://doi.org/10.1007/s10965-025-04451-8openalex-snapshot
The role of carbon nanofillers in the aging processes of polyimide composites
inferred← citeshttps://doi.org/10.1007/s11224-025-02635-yopenalex-snapshot
Electrostatic potential landscapes: a topographical perspective on aromaticity, electron delocalization, and localization
inferred← citeshttps://doi.org/10.1007/s44174-025-00423-0openalex-snapshot
Supramolecular Polymers in Hybrid Drug Delivery Systems: A Promising Platform for Targeted and Responsive Therapeutics
inferred← citeshttps://doi.org/10.1016/bs.aiq.2023.03.001openalex-snapshot
REG-MULTI: Lifting the veil on electrostatic interactions
inferred← citeshttps://doi.org/10.1016/bs.apoc.2024.10.001openalex-snapshot
What did aromaticity ever do for us? A user’s guide to aromatic and antiaromatic molecules
inferred← citeshttps://doi.org/10.1016/bs.arcc.2024.03.001openalex-snapshot
Density functional theory for van der Waals complexes: Size matters
inferred← citeshttps://doi.org/10.1016/j.ccr.2025.217491openalex-snapshot
Perfluorophenyl-phenyl interactions in fluorescent properties
inferred← citeshttps://doi.org/10.1016/j.cej.2025.168751openalex-snapshot
Unveiling the roles of CMPs based 1,3,5-triethynylbenzene for efficient aflatoxins capture: An experimental, theoretical and applicable study
inferred← citeshttps://doi.org/10.1016/j.cjsc.2023.100213openalex-snapshot
Metastability of π-π stacking between the closed-shell ions of like charges
inferred← citeshttps://doi.org/10.1016/j.commatsci.2025.114440openalex-snapshot
High-pressure behavior of energetic metal-organic frameworks: A first-principles study
inferred← citeshttps://doi.org/10.1016/j.dyepig.2026.113670openalex-snapshot
From molecular design to macroscopic control: Tailoring aggregate-state stacking and optical properties of polycyclic aromatic hydrocarbons through precise functionalization
inferred← citeshttps://doi.org/10.1016/j.envpol.2023.121475openalex-snapshot
Thoughtful design of a covalent organic framework with tailor-made polarity and pore size for the enrichment of bisphenols and their derivatives: Extraction performance, adsorption mechanism and toxicity evaluation
inferred← citeshttps://doi.org/10.1016/j.fuel.2025.138232openalex-snapshot
Unraveling molecular interactions in coal-derived phenolic–aromatic systems: A decoupling principle governing assembly
inferred← citeshttps://doi.org/10.1016/j.inoche.2026.117228openalex-snapshot
Сobaltocenium-polysiloxane supported on carbon nanotubes via self-catalyzed hydrosilylation as an alternative catalyst for efficient hydrogen evolution
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2025.139457openalex-snapshot
In-situ stabilization of conjugated microporous polymer on sieve plates for multifunctional applications: Detection and removal of aflatoxins
inferred← citeshttps://doi.org/10.1016/j.jtice.2026.106927openalex-snapshot
Feedstock type governs ofloxacin sorption onto three lignocellulosic biochars: Bayesian nonlinear regression and reduced density gradient analysis
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2025.131256openalex-snapshot
Integrated experimental and computational insights into thiazolidine derivatives with potent cytotoxicity against PC-3 prostate cancer cells
inferred← citeshttps://doi.org/10.1016/j.matt.2024.06.035openalex-snapshot
Arene-perfluoroarene interaction: Properties, constructions, and applications in materials science
inferred← citeshttps://doi.org/10.1016/j.microc.2023.109524openalex-snapshot
Room-temperature synthesis of magnetic thiophene-based covalent organic frameworks for derivatization-assisted GC–MS analysis of estrogens in environmental water
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.117112openalex-snapshot
Asphaltenes as novel thermal conductivity enhancers for liquid paraffin: Insight from in silico modeling
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.124249openalex-snapshot
Removal of Reactive Red 195 dye from textile industry wastewater with Deep Eutectic Solvent-based green extraction
inferred← citeshttps://doi.org/10.1016/j.molstruc.2025.144141openalex-snapshot
Pyrazolo[3,4-b](dihydro)quinoline-5-ones: Single-crystal exploration, Hirshfeld surface analysis, and DFT calculation
inferred← citeshttps://doi.org/10.1016/j.nanoen.2026.112287openalex-snapshot
Conformation twisting or planarization: Site-selective alkylation on π-bridge for macrocycle encapsulated tetrathiophene based non-fused ring electron acceptors
inferred← citeshttps://doi.org/10.1016/j.physe.2024.116115openalex-snapshot
Interaction of fullerenes C60 with pristine and substituted buckybowls: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.trechm.2025.03.002openalex-snapshot
Advances in the design of π-conjugated peptide assemblies
inferred← citeshttps://doi.org/10.1021/acs.accounts.1c00387openalex-snapshot
Predicting and Understanding Non-Covalent Interactions Using Novel Forms of Symmetry-Adapted Perturbation Theory
inferred← citeshttps://doi.org/10.1021/acs.accounts.5c00107openalex-snapshot
Correction to “Predicting and Understanding Noncovalent Interactions Using Novel Forms of Symmetry-Adapted Perturbation Theory”
inferred← citeshttps://doi.org/10.1021/acs.cgd.3c01435openalex-snapshot
Polymorphism and π Stacking Affect Thermal Expansion Behavior in Halogen-Bonded Cocrystals Based on 1,4-Diiodoperchlorobenzene
inferred← citeshttps://doi.org/10.1021/acs.cgd.4c00877openalex-snapshot
Exploring the Spatial Arrangement of Cs-Symmetric Boron Subphthalocyanine Hybrid Crystals by Tuning Arene–Perfluoroarene Interactions
inferred← citeshttps://doi.org/10.1021/acs.cgd.5c00106openalex-snapshot
Twisting the Propotypic Molecules of Ph–C≡C–Ph, Ph–CH═CH–Ph, and Ph–N═N–Ph through Cocrystallization
inferred← citeshttps://doi.org/10.1021/acs.chemmater.5c01670openalex-snapshot
Intermolecular Interactions Override Chemical Intuition in Tuning Stacking and Electronic Properties of Functionalized Two-Dimensional Covalent Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.5c04738openalex-snapshot
Intermolecular Interactions Governing Extraction Efficiency of Polycyclic Thiophenes by Deep Eutectic Solvents
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c00792openalex-snapshot
Bandgap Modulation in Zr-Based Metal–Organic Frameworks by Mixed-Linker Approach
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c03755openalex-snapshot
From Hydrogen Bond to van der Waals Force: Molecular Scalpel Strategy to Exfoliate a Two-Dimensional Metal–Organic Nanosheet
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c03923openalex-snapshot
Benzene and Borazine, so Different, yet so Similar: Insight from Experimental Charge Density Analysis
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.4c02414openalex-snapshot
Synthesis, Structure, and Properties of Nontrivial Iridium(III) Complexes Based on Anthracene-Decorated Benzimidazole Ligand
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c01302openalex-snapshot
Comprehensive Basis-Set Testing of Extended Symmetry-Adapted Perturbation Theory and Assessment of Mixed-Basis Combinations to Reduce Cost
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00903openalex-snapshot
Balance between Physical Interpretability and Energetic Predictability in Widely Used Dispersion-Corrected Density Functionals
inferred← citeshttps://doi.org/10.1021/acs.jctc.6c01446openalex-snapshot
Comparing Symmetry-Adapted Perturbation Theory to Intermolecular Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals
inferred← citeshttps://doi.org/10.1021/acs.joc.1c00921openalex-snapshot
Arene-Perfluoroarene Interactions in Solution
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c11356openalex-snapshot
Electrostatics, Charge Transfer, and the Nature of the Halide–Water Hydrogen Bond
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c05962openalex-snapshot
Neat, Simple, and Wrong: Debunking Electrostatic Fallacies Regarding Noncovalent Interactions
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c07244openalex-snapshot
Development and Implementation of Atomically Anisotropic First-Principles Force Fields: A Benzene Case Study
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c04398openalex-snapshot
Investigating the Stacking Interactions Responsible for Driving 3D Self-Association of Tricarb Macrocycles
inferred← citeshttps://doi.org/10.1021/acs.jpca.6c02038openalex-snapshot
Porphyrin Aggregation Revisited: From the Four-Orbital Gouterman Model to an Eight-Orbital Framework in Porphin H-Dimers
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c08413openalex-snapshot
Origins of Offset-Stacking in Porous Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c03299openalex-snapshot
π-Stacking Isomerism in Polycyclic Aromatic Hydrocarbons: The 2-Naphthalenethiol Dimer
inferred← citeshttps://doi.org/10.1021/acs.langmuir.3c03863openalex-snapshot
Ligand Exchange Reaction between Ferrocene and Multiwalled Carbon Nanotubes: A Contemporary Approach
inferred← citeshttps://doi.org/10.1021/acs.orglett.5c02277openalex-snapshot
Enhancement of the Chiroptical Properties of o-OPE through Arene–Perfluoroarene Interactions
inferred← citeshttps://doi.org/10.1021/acs.orglett.6c02890openalex-snapshot
Molecular Spiral Staircases: Stepwise Construction of Multilayer Phenylene Stacks
inferred← citeshttps://doi.org/10.1021/acsami.2c17728openalex-snapshot
Hydroxy-Containing Covalent Organic Framework Combined with Nickel Ferrite as a Platform for the Recognition and Capture of Bisphenols
inferred← citeshttps://doi.org/10.1021/acsami.5c20379openalex-snapshot
Separation of Benzene–Cyclohexane at the Liquid–Solid and Vapor–Solid Interfaces Using Adaptive Molecular Crystals of Acyclic B←N Receptors with a 1,2,4,5-Tetrazine Core
inferred← citeshttps://doi.org/10.1021/acsanm.3c03315openalex-snapshot
Review of Carrier-Free Self-Assembly of Anticancer Nanodrugs
inferred← citeshttps://doi.org/10.1021/acscatal.5c02967openalex-snapshot
1,4-Arylalkylation of Butadiene with Aryl Bromides and Amino Acids Enabled by Photo-Induced Chiral Aldehyde/Palladium Catalysis
inferred← citeshttps://doi.org/10.1021/acscentsci.1c00604openalex-snapshot
Cooperative Self-Assembly Driven by Multiple Noncovalent Interactions: Investigating Molecular Origin and Reassessing Characterization
inferred← citeshttps://doi.org/10.1021/acsmaterialslett.5c00047openalex-snapshot
Unveiling Sophisticated Intermolecular van der Waals Interactions at the Single-Molecule Level
inferred← citeshttps://doi.org/10.1021/acsomega.1c02385openalex-snapshot
Π‑Stacking in Heterodimers of Propargylbenzene with (Fluoro)phenylacetylenes
inferred← citeshttps://doi.org/10.1021/acsomega.1c05863openalex-snapshot
Theoretical Approach to Evaluate the Gas-Sensing Performance of Graphene Nanoribbon/Oligothiophene Composites
inferred← citeshttps://doi.org/10.1021/acsomega.6c02707openalex-snapshot
A Physically Informed QUBO Model for π-Stacking Interactions in Molecular Docking Problems
inferred← citeshttps://doi.org/10.1021/acsphyschemau.5c00149openalex-snapshot
The Role of Charge Resonances in the Benzene Dimer
inferred← citeshttps://doi.org/10.1021/jacs.3c09198openalex-snapshot
The Energetic Origins of Pi–Pi Contacts in Proteins
inferred← citeshttps://doi.org/10.1021/jacs.4c07277openalex-snapshot
WDR5 Binding to Histone Serotonylation Is Driven by an Edge–Face Aromatic Interaction with Unexpected Electrostatic Effects
inferred← citeshttps://doi.org/10.1021/jacs.4c09504openalex-snapshot
Tracking Noncovalent Interactions of π, π-Hole, and Ion in Molecular Complexes at the Single-Molecule Level
inferred← citeshttps://doi.org/10.1021/jacs.4c11119openalex-snapshot
Ternary π–π Stacking Complexes by Allosteric Regulation in Multilayer Nanographenes
inferred← citeshttps://doi.org/10.1021/jacs.4c13291openalex-snapshot
Substituent and Heteroatom Effects on π–π Interactions: Evidence That Parallel-Displaced π-Stacking is Not Driven by Quadrupolar Electrostatics
inferred← citeshttps://doi.org/10.1021/jacs.5c00128openalex-snapshot
Control of Indodicarbocyanine Dimer Geometry Using Variable-Length Linkers to DNA Scaffolds
inferred← citeshttps://doi.org/10.1021/jacs.5c02401openalex-snapshot
π–π Stacking and Structural Configurations in Aromatic Thiophene and Fluorobenzene Dimers Revealed by Rotational Spectroscopy
inferred← citeshttps://doi.org/10.1021/jacs.5c03169openalex-snapshot
Revisiting the Hunter-Sanders Model for π–π Interactions
inferred← citeshttps://doi.org/10.1021/jacs.5c08534openalex-snapshot
Reversible Thermosalience as a Result of Cooperative Bond and Molecular Rotations in a Multicomponent Hydrogen-Bonded Solid
inferred← citeshttps://doi.org/10.1021/jacs.5c12769openalex-snapshot
Making Sense of Heteroatom Effects in π–π Interactions
inferred← citeshttps://doi.org/10.1021/jacs.6c00921openalex-snapshot
The Nodal Structure of π-Orbitals Is Mapped in the Interaction Energy of π-Stacked Acene Dimers
inferred← citeshttps://doi.org/10.1021/jacs.6c03371openalex-snapshot
Rethinking the Terms “π-Stacking” and “π–π Stacking” Again: A Proposal to Clarify the Language of Aromatic Interactions
inferred← citeshttps://doi.org/10.1038/s41557-023-01362-3openalex-snapshot
Modular and diverse synthesis of amino acids via asymmetric decarboxylative protonation of aminomalonic acids
inferred← citeshttps://doi.org/10.1038/s42004-024-01329-6openalex-snapshot
Origin of the intermolecular forces that produce donor–acceptor stacks in π-conjugated charge-transfer complexes
inferred← citeshttps://doi.org/10.1038/s42004-025-01414-4openalex-snapshot
London dispersion forces and steric effects within nanocomposites tune interaction energies and chain conformation
inferred← citeshttps://doi.org/10.1039/d0cc06638aopenalex-snapshot
Poly(dimethylsiloxane) and oligo(dimethylsiloxane) solvent effects on aromatic donor–acceptor interactions
inferred← citeshttps://doi.org/10.1039/d0cp02193hopenalex-snapshot
Protobranching as repulsion-induced attraction: a prototype for geminal stabilization
inferred← citeshttps://doi.org/10.1039/d1cp01954fopenalex-snapshot
AromTool: predicting aromatic stacking energy using an atomic neural network model
inferred← citeshttps://doi.org/10.1039/d1sc05589eopenalex-snapshot
Hierarchical self-assembly of aromatic peptide conjugates into supramolecular polymers: it takes two to tango
inferred← citeshttps://doi.org/10.1039/d2cp00714bopenalex-snapshot
Electrostatic penetration effects stand at the heart of aromatic π interactions
inferred← citeshttps://doi.org/10.1039/d2cp04335aopenalex-snapshot
A critical comparison of CH⋯π versus π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methods
inferred← citeshttps://doi.org/10.1039/d2nj00214kopenalex-snapshot
Enhancement of association constants of various charge-transfer complexes in siloxane solvents
inferred← citeshttps://doi.org/10.1039/d2nr05544aopenalex-snapshot
Towards control of excitonic coupling in DNA-templated Cy5 aggregates: the principal role of chemical substituent hydrophobicity and steric interactions
inferred← citeshttps://doi.org/10.1039/d3cp03512copenalex-snapshot
Molecular mechanisms underlying nanowire formation in pristine phthalocyanine
inferred← citeshttps://doi.org/10.1039/d3cp03712fopenalex-snapshot
Conformational equilibria and interaction preference in the complex of isoprene–maleic anhydride
inferred← citeshttps://doi.org/10.1039/d3cp04609eopenalex-snapshot
Energy landscape of perylenediimide chromophoric aggregates
inferred← citeshttps://doi.org/10.1039/d3ra07380gopenalex-snapshot
Analysing the effect caused by increasing the molecular volume in M1-AChR receptor agonists and antagonists: a structural and computational study
inferred← citeshttps://doi.org/10.1039/d4cp00312hopenalex-snapshot
A density functional theory study on interactions in water-bridged dimeric complexes of lignin
inferred← citeshttps://doi.org/10.1039/d4cp03237copenalex-snapshot
Intermolecular interaction potential maps from energy decomposition for interpreting reactivity and intermolecular interactions
inferred← citeshttps://doi.org/10.1039/d4sc04951aopenalex-snapshot
Aromatic–aromatic interactions drive fold switch of GA95 and GB95 with three residue difference
inferred← citeshttps://doi.org/10.1039/d4se01751jopenalex-snapshot
Triazine derivatives as metal-free electrocatalysts: do three nitrogen atoms mimic a metal?
inferred← citeshttps://doi.org/10.1039/d5ce00989hopenalex-snapshot
Exploring non-covalent interactions in binary aromatic complexes
inferred← citeshttps://doi.org/10.1039/d5cp01121copenalex-snapshot
Oxidation reduces spin-orbital coupling to achieve robust fluorescence emission in halogen-substituted dithieno[3,2- b :2′,3′- d ]thiophene
inferred← citeshttps://doi.org/10.1039/d5ra05095bopenalex-snapshot
Synthesis and characterization of thermolatent bases with varying activation temperatures
inferred← citeshttps://doi.org/10.1039/d5sc07952gopenalex-snapshot
A visualizable and widely applicable steric repulsion descriptor for guiding experimental chemistry
inferred← citeshttps://doi.org/10.1039/d5tc01794gopenalex-snapshot
Quadrupole moments determine the crystal structures of organic semiconductors
inferred← citeshttps://doi.org/10.1039/d6ee05050fopenalex-snapshot
Organized molecular assemblies towards dynamic and adaptive electrolytes
inferred← citeshttps://doi.org/10.1063/5.0055522openalex-snapshot
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
inferred← citeshttps://doi.org/10.1063/5.0204064openalex-snapshot
Ab initio dispersion potentials based on physics-based functional forms with machine learning
inferred← citeshttps://doi.org/10.1063/5.0205540openalex-snapshot
Perfluoroaryl⋯aryl interaction: The most important subset of π -hole⋯ π bonding
inferred← citeshttps://doi.org/10.1063/5.0206533openalex-snapshot
Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes
inferred← citeshttps://doi.org/10.1063/5.0225850openalex-snapshot
The influence of the bounding surface on the structural ordering of short chains of oligoetherimides
inferred← citeshttps://doi.org/10.1063/5.0232657openalex-snapshot
Dispersion leading potential energy surface of N2·NbN12−: Anion photoelectron spectroscopy and theoretical studies
inferred← citeshttps://doi.org/10.1063/5.0324531openalex-snapshot
Revisiting acene dimers: A comprehensive theoretical study of a less explored conformer
inferred← citeshttps://doi.org/10.1080/03067319.2025.2511979openalex-snapshot
Rapid and stable removal of reactive Blue-221 and Red-230 from water via DES-Based liquid–liquid extraction: application of environmental samples
inferred← citeshttps://doi.org/10.1093/bulcsj/uoaf109openalex-snapshot
Crystal structures of organic semiconductors
inferred← citeshttps://doi.org/10.1093/chemle/upaf099openalex-snapshot
Quantum chemical evaluation of π–π interaction in protein using a negative fragmentation approach combined with the ONIOM method
inferred← citeshttps://doi.org/10.1101/2025.04.13.648419openalex-snapshot
StACKER, A TOOL FOR SYSTEMS LEVEL ANALYSIS OF BASE STACKING IN NUCLEOTIDE-RICH STRUCTURES
inferred← citeshttps://doi.org/10.1103/physrevlett.131.228001openalex-snapshot
Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude Oscillators
inferred← citeshttps://doi.org/10.3390/cryst11091032openalex-snapshot
Tryptophan, an Amino-Acid Endowed with Unique Properties and Its Many Roles in Membrane Proteins
inferred← citeshttps://doi.org/10.3390/ijms25158272openalex-snapshot
Revisiting the Most Stable Structures of the Benzene Dimer
inferred← citeshttps://doi.org/10.3390/ijms251910762openalex-snapshot
On the Potential Energy Surface of the Pyrene Dimer
inferred← citeshttps://doi.org/10.3390/molecules26144245openalex-snapshot
On the Low-Lying Electronically Excited States of Azobenzene Dimers: Transition Density Matrix Analysis
inferred← citeshttps://doi.org/10.3390/psychoactives3010006openalex-snapshot
Does Conformation Affect the Analytical Response? A Structural and Infrared Spectral Evaluation of Phenethylamines (2C-H, 25H-NBOH, and 25I-NBOMe) Using In Silico Methodology
inferred← citeshttps://doi.org/10.70675/d246fe8bzae42z4e8az9cd5zb0ab96b5de64openalex-snapshot
Auto-assemblage de polymères dynamiques et reconnaissance d'acides nucléiques
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.