On the public citation graph
Molecular surface electrostatic potentials in the analysis of non-hydrogen-bonding noncovalent interactions
0 signed · 173 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known work and none has been retracted — and get a dated CiteStamped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/10.1002/9780470125809openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/bscb.19760850405openalex-snapshot
Contribution à l'étude theorique de la liaison hydrogène I. Les dimères de l'eau
inferredcites →https://doi.org/10.1002/qua.560440709openalex-snapshot
Surface electrostatic potentials of halogenated methanes as indicators of directional intermolecular interactions
inferredcites →https://doi.org/10.1002/qua.560480202openalex-snapshot
Molecular surface electrostatic potentials and local ionization energies of Group V–VII hydrides and their anions: Relationships for aqueous and gas‐phase acidities
inferredcites →https://doi.org/10.1007/978-1-4757-9634-6openalex-snapshot
Chemical Applications of Atomic and Molecular Electrostatic Potentials
inferredcites →https://doi.org/10.1007/978-3-642-58177-9openalex-snapshot
Theoretical Models of Chemical Bonding
inferredcites →https://doi.org/10.1007/978-3-642-58177-9_7openalex-snapshot
The Extramolecular Electrostatic Potential. An Indicator of the Chemical Reactivity
inferredcites →https://doi.org/10.1007/bf00625739openalex-snapshot
A computational analysis of some diaryl ureas in relation to their observed crystalline hydrogen bonding patterns
inferredcites →https://doi.org/10.1016/0022-328x(89)85072-7openalex-snapshot
Correlation Analysis of Chemical Data
inferredcites →https://doi.org/10.1016/0166-1280(90)85054-qopenalex-snapshot
Electrostatic potential analysis of the π regions of some naphthalene derivatives
inferredcites →https://doi.org/10.1016/0166-1280(92)85106-uopenalex-snapshot
Computational analysis of the dinitramine and chlorine derivatives of benzene and s-tetrazine
inferredcites →https://doi.org/10.1016/s0022-328x(00)85867-2openalex-snapshot
Topics in current chemistry
inferredcites →https://doi.org/10.1021/j100118a002openalex-snapshot
New structure for the most stable isomer of the benzene dimer: a quantum chemical study
inferredcites →https://doi.org/10.1021/j100177a020openalex-snapshot
The Ham bands revisited: spectroscopy and photophysics of the benzene-carbon tetrachloride complex
inferredcites →https://doi.org/10.1021/j100294a016openalex-snapshot
Spectrum and structure of complexes of hydrogen chloride with s-tetrazine
inferredcites →https://doi.org/10.1021/ja00179a028openalex-snapshot
Hydrogen bond-directed cocrystallization and molecular recognition properties of diarylureas
inferredcites →https://doi.org/10.1021/ja00260a006openalex-snapshot
Properties of atoms in molecules: atomic volumes
inferredcites →https://doi.org/10.1021/ja00275a012openalex-snapshot
Angular preferences of intermolecular forces around halogen centers: preferred directions of approach of electrophiles and nucleophiles around carbon-halogen bond
inferredcites →https://doi.org/10.1021/ja00316a005openalex-snapshot
Effects of amino and nitro substituents upon the electrostatic potential of an aromatic ring
inferredcites →https://doi.org/10.1021/ja00348a041openalex-snapshot
Intermolecular interactions of the carbon-fluorine bond: the crystallographic environment of fluorinated carboxylic acids and related structures
inferredcites →https://doi.org/10.1021/ja00838a001openalex-snapshot
Theoretical studies of hydrogen-bonded dimers. Complexes involving HF, H2O, NH3, CH1, H2S, PH3, HCN, HNC, HCP, CH2NH, H2CS, H2CO, CH4, CF3,H, C2H2, C2H4, C6H6, F- and H3O+
inferredcites →https://doi.org/10.1021/jo00011a060openalex-snapshot
Correlations between the solvent hydrogen bond acceptor parameter .beta. and the calculated molecular electrostatic potential
inferredcites →https://doi.org/10.1021/jo00023a045openalex-snapshot
Correlations between the solvent hydrogen-bond-donating parameter .alpha. and the calculated molecular surface electrostatic potential
inferredcites →https://doi.org/10.1021/jo00384a013openalex-snapshot
Charge-transfer interactions of amines with tetrahalomethanes. X-ray crystal structures of the donor-acceptor complexes of quinuclidine and diazabicyclo [2.2.2]octane with carbon tetrabromide
inferredcites →https://doi.org/10.1063/1.1725932openalex-snapshot
Lack of Charge Transfer in Aromatic Charge—Transfer Complexes
inferredcites →https://doi.org/10.1063/1.459587openalex-snapshot
Floppy structure of the benzene dimer: Ab initio calculation on the structure and dipole moment
inferredcites →https://doi.org/10.1063/1.461066openalex-snapshot
The photophysics and photochemistry of complexes of s-tetrazine and acetylene
inferredcites →https://doi.org/10.1103/revmodphys.45.22openalex-snapshot
The Force Concept in Chemistry
inferredcites →https://doi.org/10.1107/s0365110x56001376openalex-snapshot
The structure of heterocyclic compounds containing nitrogen. I. Crystal and molecular structure ofs-tetrazine
inferredcites →https://doi.org/10.1139/v74-540openalex-snapshot
On the Hydrogen Bond Breaking Ability of Fluorocarbons Containing Higher Halogens
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.4820529openalex-extracted
Co2 Capture by Fluorinated-Imidazolium Based Ionic Liquids: A Multiple Minima Hypersurfaces Analysis and the Role of Intermolecular Interactions
inferred← citeshttps://doi.org/10.1002/(sici)1096-987x(19970130)18:2<182::aid-jcc4>3.0.co;2-ropenalex-snapshot
QSPR analysis of HPLC column capacity factors for a set of high-energy materials using electronic van der waals surface property descriptors computed by transferable atom equivalent method
inferred← citeshttps://doi.org/10.1002/0470845015.cca014openalex-snapshot
Electrostatic Potentials: Chemical Applications
inferred← citeshttps://doi.org/10.1002/9780470681909.ch5openalex-snapshot
Thermodynamic and Spectroscopic Scales of Halogen‐Bond Basicity and Affinity
inferred← citeshttps://doi.org/10.1002/9781394217656.ch20openalex-snapshot
Molecular Electron Density and Electrostatic Potential and Their Applications
inferred← citeshttps://doi.org/10.1002/9783527825738.ch1openalex-snapshot
Halogen Bonding: An Introduction
inferred← citeshttps://doi.org/10.1002/aoc.4258openalex-snapshot
Nature of MoH···I bonds in Cp2Mo(L)H···I‐C≡C‐R Complexes (L=H, CN, PPh2, C(CH3)3; R=NO2, Cl, Br, H, OH, CH3, NH2)
inferred← citeshttps://doi.org/10.1002/asia.202300067openalex-snapshot
Halogen⋯Halogen Interactions: Nature, Directionality and Applications
inferred← citeshttps://doi.org/10.1002/asia.202301033openalex-snapshot
Structural Insights on the Role of Halogen Bonding in Protein MEK Kinase‐Inhibitor Complexes
inferred← citeshttps://doi.org/10.1002/chem.201900334openalex-snapshot
Halogen Bonds of Halotetrafluoropyridines in Crystals and Co‐crystals with Benzene and Pyridine
inferred← citeshttps://doi.org/10.1002/chem.202002264openalex-snapshot
The Relevance of Size Matching in Self‐assembly: Impact on Regio‐ and Chemoselective Cocrystallizations
inferred← citeshttps://doi.org/10.1002/cphc.201200799openalex-snapshot
Halogen Bonding: An Interim Discussion
inferred← citeshttps://doi.org/10.1002/cphc.201900045openalex-snapshot
A−H…σ Hydrogen Bonds: Dihydrogen and Cycloalkanes as Proton Acceptors
inferred← citeshttps://doi.org/10.1002/cphc.202300413openalex-snapshot
Unveiling the Noncovalent Interaction of Thiazol‐2‐ylidene and Its Derivatives as N‐heterocyclic Carbene with Different Proton Donor Molecules
inferred← citeshttps://doi.org/10.1002/cplu.202100294openalex-snapshot
Group 14 Central Atoms and Halogen Bonding in Different Dielectric Environments: How Germanium Outperforms Silicon
inferred← citeshttps://doi.org/10.1002/ejic.202000094openalex-snapshot
Exploring the Role of Strong Intramolecular Coordination of the 2‐(2'‐pyridyl)phenyl Group in Heavy Main Group Halides: Insights from Synthesis, Structural, and Bonding Analyses
inferred← citeshttps://doi.org/10.1002/jcc.24211openalex-snapshot
Hexahalogenated and their mixed benzene derivatives as prototypes for the understanding of halogen···halogen intramolecular interactions: New insights from combined DFT, QTAIM‐, and RDG‐based NCI analyses
inferred← citeshttps://doi.org/10.1002/jcc.24264openalex-snapshot
Competition between hydrogen and halogen bonding in halogenated 1‐methyluracil: Water systems
inferred← citeshttps://doi.org/10.1002/jcc.24739openalex-snapshot
Revealing the physical nature and the strength of charge-inverted hydrogen bonds by SAPT(DFT), MP2, SCS-MP2, MP2C, and CCSD(T) methods
inferred← citeshttps://doi.org/10.1002/jcc.25532openalex-snapshot
Bond paths between distant atoms do not necessarily indicate dominant interactions
inferred← citeshttps://doi.org/10.1002/jcc.25816openalex-snapshot
Description of halogen bonding in semiempirical quantum‐mechanical and self‐consistent charge density‐functional tight‐binding methods
inferred← citeshttps://doi.org/10.1002/jcc.27098openalex-snapshot
σ‐ Hole intermolecular interactions between carbon oxides and dihalogens: Ab‐initio investigations
inferred← citeshttps://doi.org/10.1002/jcc.27300openalex-snapshot
Structures and stability of I 2 and ICl complexes with pyridine: Ab initio and DFT study
inferred← citeshttps://doi.org/10.1002/jmr.2819openalex-snapshot
Investigations on the structural, vibrational, computational, and molecular docking studies on potential antidiabetic chemical agent Diosmetin
inferred← citeshttps://doi.org/10.1002/open.201900109openalex-snapshot
On the Uselessness of Bond Paths Linking Distant Atoms and on the Violation of the Concept of Privileged Exchange Channels
inferred← citeshttps://doi.org/10.1002/poc.3949openalex-snapshot
In search for a hydride‐carbene bond
inferred← citeshttps://doi.org/10.1002/pola.27952openalex-snapshot
Well-defined epoxide-containing styrenic polymers and their functionalization with alcohols
inferred← citeshttps://doi.org/10.1002/qua.10109openalex-snapshot
The complementary roles of molecular surface electrostatic potentials and average local ionization energies with respect to electrophilic processes
inferred← citeshttps://doi.org/10.1002/qua.24877openalex-snapshot
Fluorines in tetrafluoromethane as halogen bond donors: Revisiting address the nature of the fluorine'sσhole
inferred← citeshttps://doi.org/10.1002/wcms.1601openalex-snapshot
Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity
inferred← citeshttps://doi.org/10.1007/128_2014_573openalex-snapshot
Halogen Bond: A Long Overlooked Interaction
inferred← citeshttps://doi.org/10.1007/978-3-319-14163-3_10openalex-snapshot
A Unified View of Halogen Bonding, Hydrogen Bonding and Other σ-Hole Interactions
inferred← citeshttps://doi.org/10.1007/978-3-319-14163-3_12openalex-snapshot
Interplay of Hydrogen, Halogen, Lithium and Beryllium Bonds in Complexes of Thiirane
inferred← citeshttps://doi.org/10.1007/978-90-481-2687-3openalex-snapshot
Practical Aspects of Computational Chemistry
inferred← citeshttps://doi.org/10.1007/978-90-481-2687-3_6openalex-snapshot
An Overview of σ-Hole Bonding, an Important and Widely-Occurring Noncovalent Interaction
inferred← citeshttps://doi.org/10.1007/s00214-023-02987-wopenalex-snapshot
Halogen bonding: a designer strategy for graphyne-like two-dimensional architectures
inferred← citeshttps://doi.org/10.1007/s00894-006-0130-2openalex-snapshot
Halogen bonding: the σ-hole
inferred← citeshttps://doi.org/10.1007/s00894-006-0145-8openalex-snapshot
Molecular surface electrostatic potentials and anesthetic activity
inferred← citeshttps://doi.org/10.1007/s00894-006-0154-7openalex-snapshot
An overview of halogen bonding
inferred← citeshttps://doi.org/10.1007/s00894-007-0176-9openalex-snapshot
Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors
inferred← citeshttps://doi.org/10.1007/s00894-007-0225-4openalex-snapshot
σ-hole bonding: molecules containing group VI atoms
inferred← citeshttps://doi.org/10.1007/s00894-008-0280-5openalex-snapshot
σ-hole bonding between like atoms; a fallacy of atomic charges
inferred← citeshttps://doi.org/10.1007/s00894-008-0307-yopenalex-snapshot
Blue shifts vs red shifts in σ-hole bonding
inferred← citeshttps://doi.org/10.1007/s00894-008-0386-9openalex-snapshot
Expansion of the σ-hole concept
inferred← citeshttps://doi.org/10.1007/s00894-012-1474-4openalex-snapshot
Theoretical description of halogen bonding – an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV)
inferred← citeshttps://doi.org/10.1007/s00894-012-1571-4openalex-snapshot
Trends in σ-hole strengths and interactions of F3MX molecules (M = C, Si, Ge and X = F, Cl, Br, I)
inferred← citeshttps://doi.org/10.1007/s00894-012-1591-0openalex-snapshot
ETS-NOCV description of σ-hole bonding
inferred← citeshttps://doi.org/10.1007/s00894-013-1983-9openalex-snapshot
Theoretical study on cooperative effects between X⋯N and X⋯Carbene halogen bonds (X = F,Cl,Br and I)
inferred← citeshttps://doi.org/10.1007/s00894-018-3595-xopenalex-snapshot
Theoretical study of an anti-Markovnikov addition reaction catalyzed by β-cyclodextrin
inferred← citeshttps://doi.org/10.1007/s00894-019-4051-2openalex-snapshot
Sigma-holes from iso-molecular electrostatic potential surfaces
inferred← citeshttps://doi.org/10.1007/s11224-016-0745-6openalex-snapshot
The influence of CH…π interaction on hydrogen bonding ability of –CONH2 functional group of benzamide
inferred← citeshttps://doi.org/10.1007/s11224-019-01454-2openalex-snapshot
Ten years of charge-inverted hydrogen bonds
inferred← citeshttps://doi.org/10.1007/s11224-020-01656-zopenalex-snapshot
Insight into the halogen-bonding interactions in the C6F5X···ZH3 (X = Cl, Br, I; Z = N, P, As) and C6F5I···Z (Ph)3 (Z = N, P, As) complexes
inferred← citeshttps://doi.org/10.1007/s11224-023-02144-wopenalex-snapshot
2D silicene nanosheets for the detection of DNA nucleobases for genetic biomarker: a DFT study
inferred← citeshttps://doi.org/10.1007/s12039-016-1162-5openalex-snapshot
Molecular electrostatic potential analysis of non-covalent complexes
inferred← citeshttps://doi.org/10.1007/s12039-020-1753-zopenalex-snapshot
Insight into 1:1 complexes of H2O with NF3 and CF2Cl2: a quantum chemical approach
inferred← citeshttps://doi.org/10.1016/b978-0-12-818192-8.00003-2openalex-snapshot
From molecular electrostatic potential surfaces to practical avenues for directed assembly of organic and metal-containing crystalline materials
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00052-0openalex-snapshot
Electrostatic Potential and Tailoring Approach for Exploring Molecular Clusters
inferred← citeshttps://doi.org/10.1016/b978-0-443-33403-0.00011-2openalex-snapshot
Electrostatic potentials of σ–holes and π–holes: a historical perspective
inferred← citeshttps://doi.org/10.1016/j.ccr.2009.09.035openalex-snapshot
Halogen bonding in metal–organic–supramolecular networks
inferred← citeshttps://doi.org/10.1016/j.ccr.2026.217881openalex-snapshot
Noncovalent interactions of metal hydrides – From hydrogen bond to catalysis
inferred← citeshttps://doi.org/10.1016/j.chemphys.2014.01.021openalex-snapshot
Charge-inverted hydrogen bond vs. other interactions possessing a hydridic hydrogen atom
inferred← citeshttps://doi.org/10.1016/j.comptc.2012.05.023openalex-snapshot
Theoretical insight into the nature of the intermolecular charge-inverted hydrogen bond
inferred← citeshttps://doi.org/10.1016/j.comptc.2012.06.007openalex-snapshot
Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor)
inferred← citeshttps://doi.org/10.1016/j.comptc.2012.07.038openalex-snapshot
A theoretical investigation on the nature of Cl⋯N and Br⋯N halogen bonds in FArX⋯NCY complexes (X=Cl, Br and Y=H, F, Cl, Br, OH, NH2, CH3 and CN)
inferred← citeshttps://doi.org/10.1016/j.comptc.2018.03.023openalex-snapshot
Non-covalent interaction in benzene and substituted benzene: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.cpc.2022.108460openalex-snapshot
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems
inferred← citeshttps://doi.org/10.1016/j.cplett.2012.02.063openalex-snapshot
A new class of halogen bonds that avoids the σ-hole
inferred← citeshttps://doi.org/10.1016/j.cplett.2012.09.061openalex-snapshot
Physical nature of interactions in charge-inverted hydrogen bonds
inferred← citeshttps://doi.org/10.1016/j.etap.2021.103615openalex-snapshot
An ecotoxicological approach to microplastics on terrestrial and aquatic organisms: A systematic review in assessment, monitoring and biological impact
inferred← citeshttps://doi.org/10.1016/j.jfluchem.2017.10.002openalex-snapshot
Fluorinated elements of Group 15 as pnictogen bond donor sites
inferred← citeshttps://doi.org/10.1016/j.jocs.2014.01.002openalex-snapshot
Factors affecting the strengths of σ-hole electrostatic potentials
inferred← citeshttps://doi.org/10.1016/j.jphotobiol.2019.04.006openalex-snapshot
Functional insights of a molecular complex pyrazolium 3,5-dinitrobenzoate:3,5-dinitrobenzoic acid on infectious agents and ctDNA - A comparative biological screening and complementary theoretical calculations
inferred← citeshttps://doi.org/10.1016/j.molliq.2016.02.008openalex-snapshot
Where, how and how much the strength of interaction between a hydrated lanthanide cation and a π-system would be increased? A theoretical study
inferred← citeshttps://doi.org/10.1016/j.molstruc.2021.132095openalex-snapshot
Synthesis, molecular modeling, quantum mechanical calculations and ADME estimation studies of benzimidazole-oxadiazole derivatives as potent antifungal agents
inferred← citeshttps://doi.org/10.1016/j.molstruc.2022.133363openalex-snapshot
Synthesis and investigations of reactive properties, photophysical properties and biological activities of a pyrazole-triazole hybrid molecule
inferred← citeshttps://doi.org/10.1016/j.theochem.2007.03.026openalex-snapshot
Theoretical insights of copper(I)–nitrene complexes
inferred← citeshttps://doi.org/10.1016/j.theochem.2010.01.022openalex-snapshot
On the nature of halogen bond – The Kohn–Sham molecular orbital approach
inferred← citeshttps://doi.org/10.1016/s0301-0104(97)00351-0openalex-snapshot
An ab initio study of electronic spectra and excited-state properties of 7-azaindole in vapour phase and aqueous solution
inferred← citeshttps://doi.org/10.1016/s1380-7323(98)80009-5openalex-snapshot
Average local ionization energies: Significance and applications
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6c02449openalex-snapshot
Halogen-like Behavior of Gold: Can Gold Form Pseudo-Halogen Bonds?
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b00526openalex-snapshot
Weak Interactions as Diagnostic Tools for Inductive Effects
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b03735openalex-snapshot
Extremely Strong Halogen Bond. The Case of a Double-Charge-Assisted Halogen Bridge
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b00646openalex-snapshot
Ultrafast Charge Transfer and Structural Dynamics Following Outer-Valence Ionization of a Halogen-Bonded Dimer
inferred← citeshttps://doi.org/10.1021/acs.jpcb.2c03745openalex-snapshot
Probing the Directionality of S···O/N Chalcogen Bond and Its Interplay with Weak C–H···O/N/S Hydrogen Bond Using Molecular Electrostatic Potential
inferred← citeshttps://doi.org/10.1021/acs.organomet.9b00698openalex-snapshot
Isolation of Homoleptic Dicationic Tellurium and Monocationic Bismuth Analogues of Non-N-Heterocyclic Carbene Derivatives
inferred← citeshttps://doi.org/10.1021/acscatal.3c04035openalex-snapshot
Halogen-Bond-Based Organocatalysis Unveiled: Computational Design and Mechanistic Insights
inferred← citeshttps://doi.org/10.1021/cg201154nopenalex-snapshot
Factors Controlling Asymmetrization of the Simplest Linear I 3 – and I 4 2– Polyiodides with Implications for the Nature of Halogen Bonding
inferred← citeshttps://doi.org/10.1021/cg301427aopenalex-snapshot
Halogen Bonding: Where We Are and Where We Are Going
inferred← citeshttps://doi.org/10.1021/cg5001717openalex-snapshot
Naming Interactions from the Electrophilic Site
inferred← citeshttps://doi.org/10.1021/cm991123popenalex-snapshot
Br···Br and Br···H Interactions in Action: Polymorphism, Hopping, and Twinning in 1,2,4,5-Tetrabromobenzene
inferred← citeshttps://doi.org/10.1021/cr500674copenalex-snapshot
Halogen Bonding in Supramolecular Chemistry
inferred← citeshttps://doi.org/10.1021/jo961679lopenalex-snapshot
Electronic Perturbations of the Aromatic Nucleus: Hammett Constants and Electrostatic Potential Topography
inferred← citeshttps://doi.org/10.1021/jp048158jopenalex-snapshot
Density Functional Theory Studies on Structure, Spectra, and Electronic Properties of 3,7-Dinitrodibenzobromolium Cation and Chloride
inferred← citeshttps://doi.org/10.1021/jp104000copenalex-snapshot
Molecular Electrostatic Potential as a tool for Evaluating the Etherification Rate Constant
inferred← citeshttps://doi.org/10.1021/jp211606topenalex-snapshot
Nature of a Hydride–Halogen Bond. A SAPT-, QTAIM-, and NBO-Based Study
inferred← citeshttps://doi.org/10.1021/jp300993bopenalex-snapshot
Energetic and Geometrical Evidence of Nonbonding Character of Some Intramolecular Halogen···Oxygen and Other Y···Y Interactions
inferred← citeshttps://doi.org/10.1021/jp4115699openalex-snapshot
A Molecular Electrostatic Potential Analysis of Hydrogen, Halogen, and Dihydrogen Bonds
inferred← citeshttps://doi.org/10.1021/jp4117003openalex-snapshot
Lone Pairs: An Electrostatic Viewpoint
inferred← citeshttps://doi.org/10.1021/jp5019422openalex-snapshot
Anion Receptors Based on Highly Fluorinated Aromatic Scaffolds
inferred← citeshttps://doi.org/10.1021/jp507879wopenalex-snapshot
Halogen Bonding: Unifying Perspectives on Organic and Inorganic Cases
inferred← citeshttps://doi.org/10.1039/9781839160400-00041openalex-snapshot
Counterparts of the Hydrogen Bond
inferred← citeshttps://doi.org/10.1039/b818309kopenalex-snapshot
Competition between OH⋯O and multiple halogen–dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins
inferred← citeshttps://doi.org/10.1039/bk9781782621737-00375openalex-snapshot
Intermolecular Interactions in Crystals
inferred← citeshttps://doi.org/10.1039/c3cp00054kopenalex-snapshot
Halogen bonding and other σ-hole interactions: a perspective
inferred← citeshttps://doi.org/10.1039/c3cp53379dopenalex-snapshot
Molecular electrostatics for probing lone pair–π interactions
inferred← citeshttps://doi.org/10.1039/c4cp02430copenalex-snapshot
The enhancing effects of group V σ-hole interactions on the F⋯O halogen bond
inferred← citeshttps://doi.org/10.1039/c4cp02663bopenalex-snapshot
Halogen bonding interaction of chloromethane with several nitrogen donating molecules: addressing the nature of the chlorine surface σ-hole
inferred← citeshttps://doi.org/10.1039/c6ce02598fopenalex-snapshot
Are fluorine-based contacts predictable? A case study in three similar coordination compounds
inferred← citeshttps://doi.org/10.1039/c6cp03713eopenalex-snapshot
Insight into the pseudo π-hole interactions in the M 3 H 6 ⋯(NCF) n (M = C, Si, Ge, Sn, Pb; n = 1, 2, 3) complexes
inferred← citeshttps://doi.org/10.1039/c6nj01707jopenalex-snapshot
Computational evidence that hyperconjugative orbital interactions are responsible for the stability of intramolecular Te⋯O/Te⋯S non-covalent interactions and comparable to hydrogen bonds in quasi-cyclic systems
inferred← citeshttps://doi.org/10.1039/c6ra06833bopenalex-snapshot
Carbon rings: a DFT study on geometry, aromaticity, intermolecular carbon–carbon interactions and stability
inferred← citeshttps://doi.org/10.1039/c8cp05690kopenalex-snapshot
Spin–orbit coupling as a probe to decipher halogen bonding
inferred← citeshttps://doi.org/10.1039/d2nj00256fopenalex-snapshot
The use of electrostatic potential at nuclei in the analysis of halogen bonding
inferred← citeshttps://doi.org/10.1039/d5ce01059dopenalex-snapshot
Impact of halogen-bonding interactions on M–X bond activation pathways: a perspective
inferred← citeshttps://doi.org/10.1039/d5cp03714jopenalex-snapshot
The anomalous nature of fluorine revisited: amazing consequences
inferred← citeshttps://doi.org/10.1039/d5cs00938copenalex-snapshot
Halogen bonding in functional chiral systems
inferred← citeshttps://doi.org/10.1039/d6ce00255bopenalex-snapshot
Influencing structure: the role of halogen⋯halogen interactions in supramolecular assemblies, crystal engineering, and beyond
inferred← citeshttps://doi.org/10.1039/d6cp00125dopenalex-snapshot
NMR shieldings as descriptors for halogen bonds in halogen-containing dimers
inferred← citeshttps://doi.org/10.1063/1.4980033openalex-snapshot
About the nature of halogen bond interaction under the spatial confinement
inferred← citeshttps://doi.org/10.1080/00268979500100891openalex-snapshot
Relationships between impact sensitivities and molecular surface electrostatic potentials of nitroaromatic and nitroheterocyclic molecules
inferred← citeshttps://doi.org/10.1080/0889311x.2020.1731803openalex-snapshot
Predictive association of metal–organic systems in the solid-state: the molecular electrostatic potential based approach
inferred← citeshttps://doi.org/10.1080/15421406.2025.2548695openalex-snapshot
Synthesis, crystal structure, spectroscopy, Hirshfeld surface and DFT studies of an organic salt of 4-amino-1,2,4-triazole and 2,3-pyrazinedicarboxylic acid
inferred← citeshttps://doi.org/10.1107/s205252061700138xopenalex-snapshot
The evaluation of QM/MM-driven molecular docking combined with MM/GBSA calculations as a halogen-bond scoring strategy
inferred← citeshttps://doi.org/10.1134/s0022476625030199openalex-snapshot
Crystal Structures of Molecular Iodine Complexes with 1,2-bis(Pyridyl)Ethane and 1,2-bis(Pyridyl)Ethylene
inferred← citeshttps://doi.org/10.1201/9780203913390.ch8openalex-snapshot
Molecular Electrostatic Potentials
inferred← citeshttps://doi.org/10.21236/ada342895openalex-snapshot
The Molecular Electrostatic Potential: A Tool for Understanding and Predicting Molecular Interaction.
inferred← citeshttps://doi.org/10.3389/fchem.2026.1820345openalex-snapshot
CO2 capture by fluorinated-imidazolium based ionic liquids: a multiple minima hypersurfaces analysis
inferred← citeshttps://doi.org/10.3390/app12073568openalex-snapshot
Synthesis Characterization and X-ray Structure of 2-(2,6-Dichlorophenylamino)-2-imidazoline Tetraphenylborate: Computational Study
inferred← citeshttps://doi.org/10.3390/books978-3-03936-171-7openalex-snapshot
Chemical Bonding in Crystals and Their Properties
inferred← citeshttps://doi.org/10.3390/computation7040064openalex-snapshot
Efficient Evaluation of Molecular Electrostatic Potential in Large Systems
inferred← citeshttps://doi.org/10.3390/cryst10010015openalex-snapshot
Organoelement Compounds Crystallized In Situ: Weak Intermolecular Interactions and Lattice Energies
inferred← citeshttps://doi.org/10.3390/cryst10111057openalex-snapshot
Halogen Bonds Fabricate 2D Molecular Self-Assembled Nanostructures by Scanning Tunneling Microscopy
inferred← citeshttps://doi.org/10.3390/cryst4010012openalex-snapshot
σ-Hole Interactions of Covalently-Bonded Nitrogen, Phosphorus and Arsenic: A Survey of Crystal Structures
inferred← citeshttps://doi.org/10.3390/cryst8010033openalex-snapshot
Sigma-Holes in Battery Materials Using Iso-Electrostatic Potential Surfaces
inferred← citeshttps://doi.org/10.3390/molecules23010163openalex-snapshot
Structural Examination of Halogen-Bonded Co-Crystals of Tritopic Acceptors
inferred← citeshttps://doi.org/10.3390/molecules26113289openalex-snapshot
Electrostatic Potential Topology for Probing Molecular Structure, Bonding and Reactivity
inferred← citeshttps://doi.org/10.3390/molecules27196320openalex-snapshot
Thermodynamic and Computational (DFT) Study of Non-Covalent Interaction Mechanisms of Charge Transfer Complex of Linagliptin with 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) and Chloranilic acid (CHA)
inferred← citeshttps://doi.org/10.3390/sym13050766openalex-snapshot
Cooperation/Competition between Halogen Bonds and Hydrogen Bonds in Complexes of 2,6-Diaminopyridines and X-CY3 (X = Cl, Br; Y = H, F)
inferred← citeshttps://doi.org/10.70675/f3cfb875z65ccz42bfz9c1az39371ac550b1openalex-snapshot
Molecular organization in solid-state using sigma-hole interactions : Exploring the effect of crystalline environment
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.