| scholarly article | Q13442814 |
| P2093 | author name string | Jane S Murray | |
| Pat Lane | |||
| Peter Politzer | |||
| Yuguang Ma | |||
| Monica C Concha | |||
| P2860 | cites work | Halogen bonds in biological molecules | Q24559980 |
| Alternative binding modes of an inhibitor to two different kinases | Q27641691 | ||
| Structural aspects of interatomic charge-transfer bonding | Q28245932 | ||
| Halogen bonding based recognition processes: a world parallel to hydrogen bonding | Q28250956 | ||
| Angular preferences of intermolecular forces around halogen centers: preferred directions of approach of electrophiles and nucleophiles around carbon-halogen bond | Q30046427 | ||
| Molecular electrostatic potentials: an effective tool for the elucidation of biochemical phenomena | Q39404366 | ||
| 1,3-Dibromo-2,4,6-trinitrobenzene (DBTNB). Crystal engineering and perfect polar alignment of two-dimensional hyperpolarizable chromophores | Q44067464 | ||
| Halogen Bonding versus Hydrogen Bonding in Driving Self-Assembly Processes Perfluorocarbon-hydrocarbon self-assembly, part IX. This work was supported by MURST (Cofinanziamento '99) and EU (COST-D12-0012). We thank Dr. A. Lunghi and Dr. P. Cardillo | Q74140107 | ||
| Halogen bonding: the sigma-hole. Proceedings of "Modeling interactions in biomolecules II", Prague, September 5th-9th, 2005 | Q80155379 | ||
| P433 | issue | 2 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 305-11 | |
| P577 | publication date | 2007-02-01 | |
| P1433 | published in | Journal of Molecular Modeling | Q1709860 |
| P1476 | title | An overview of halogen bonding | |
| P478 | volume | 13 |
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| Q84241413 | Molecular mechanical perspective on halogen bonding |
| Q48402932 | Molecular surface electrostatic potentials and anesthetic activity. |
| Q83640834 | Mutual influence between halogen bonds and cation-π interactions: a theoretical study |
| Q34264626 | N-Acetyl-N-{2-[(Z)-2-chloro-3,3,3-tri-fluoro-prop-1-en-yl]phen-yl}acetamide |
| Q48317948 | Natural Abundance 15 N and 13 C Solid-State NMR Chemical Shifts: High Sensitivity Probes of the Halogen Bond Geometry. |
| Q45898815 | Nature of halogen bonding. A study based on the topological analysis of the Laplacian of the electron charge density and an energy decomposition analysis. |
| Q92815401 | Nature of the Interaction of Pyridines with OCS. A Theoretical Investigation |
| Q84415030 | Neighboring group stabilization by sigma-holes |
| Q40217649 | Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu). |
| Q46247841 | New Type of Halogen Bond: Multivalent Halogen Interacting with π- and σ-Electrons. |
| Q37982350 | New catalytic approaches towards the enantioselective halogenation of alkenes |
| Q84542686 | Non-covalent interactions - QTAIM and NBO analysis |
| Q36610117 | Non-covalent interactions involving halogenated derivatives of capecitabine and thymidylate synthase: a computational approach |
| Q58445117 | Noncovalent interactions in biochemistry |
| Q56982923 | On the Cl···N halogen bond: a rotational study of CF3Cl···NH3 |
| Q38925407 | On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications |
| Q58445122 | On the Nature of the Stabilization of Benzene⋅⋅⋅Dihalogen and Benzene⋅⋅⋅Dinitrogen Complexes: CCSD(T)/CBS and DFT-SAPT Calculations |
| Q57793418 | On the Power of Geometry over Tetrel Bonds |
| Q81195051 | ParaFrag--an approach for surface-based similarity comparison of molecular fragments |
| Q39239828 | Photoalignment and surface-relief-grating formation are efficiently combined in low-molecular-weight halogen-bonded complexes |
| Q33846338 | Photochemical reaction of sulfur hexafluoride with water in low-temperature xenon matrices |
| Q39499852 | Plugging the explicit σ-holes in molecular docking |
| Q52449184 | Pnictogen bonding in pyrazine•PnX5 (Pn = P, As, Sb and X = F, Cl, Br) complexes. |
| Q57499519 | Polymerbasierte Halogenbrückendonoren mit selbstheilenden Eigenschaften in Filmen |
| Q48156592 | Polymeric Halogen-Bond-Based Donor Systems Showing Self-Healing Behavior in Thin Films |
| Q38663156 | Probing covalency in halogen bonds through donor K-edge X-ray absorption spectroscopy: polyhalides as coordination complexes |
| Q47974032 | Probing ¹³C chemical shielding tensors in cryptolepine and two bromo-substituted analogs for antiplasmodial activity |
| Q41934770 | Processive Incorporation of Deoxynucleoside Triphosphate Analogs by Single-Molecule DNA Polymerase I (Klenow Fragment) Nanocircuits |
| Q27688950 | Pseudilins: halogenated, allosteric inhibitors of the non-mevalonate pathway enzyme IspD |
| Q36293455 | Quantifying the Effects of Halogen Bonding by Haloaromatic Donors on the Acceptor Pyrimidine |
| Q87966941 | Reaction of chlorine radical with tetrahydrofuran: a theoretical investigation on mechanism and reactivity in gas phase |
| Q37159748 | Repositioning organohalogen drugs: a case study for identification of potent B-Raf V600E inhibitors via docking and bioassay |
| Q52640845 | Revealing Factors Influencing the Fluorine-Centered Non-Covalent Interactions in Some Fluorine-Substituted Molecular Complexes: Insights from First-Principles Studies. |
| Q86993442 | Revealing substitution effects on the strength and nature of halogen-hydride interactions: a theoretical study |
| Q90858094 | Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1) |
| Q37074814 | Role for the propofol hydroxyl in anesthetic protein target molecular recognition |
| Q50931023 | Rovibrational energy and spectroscopic constant calculations of complexes pairing via dihydrogen bonds. |
| Q50284009 | SH···N and SH···P blue-shifting H-bonds and N···P interactions in complexes pairing HSN with amines and phosphines. |
| Q90982209 | Scaffold Effects on Halogen Bonding Strength |
| Q36903666 | Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications |
| Q39712077 | Shorter telomeres in patients with cerebral autosomal dominant arteriopathy and leukoencephalopathy (CADASIL). |
| Q80814439 | Sigma-hole bonding between like atoms; a fallacy of atomic charges |
| Q80657868 | Sigma-hole bonding: molecules containing group VI atoms |
| Q57965521 | Some measures for making halogen bonds stronger than hydrogen bonds in H2CS–HOX (X = F, Cl, and Br) complexes |
| Q46684100 | Stabilizing Otherwise Unstable Anions with Halogen Bonding. |
| Q44481315 | Statistical analysis of σ-holes: a novel complementary view on halogen bonding |
| Q46333329 | Strength, character, and directionality of halogen bonds involving cationic halogen bond donors |
| Q49996938 | Structural Examination of Halogen-Bonded Co-Crystals of Tritopic Acceptors. |
| Q37731310 | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor |
| Q50239533 | Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds. |
| Q90574512 | Studies of Halogen Bonding Induced by Pentafluorosulfanyl Aryl Iodides: A Potential Group of Halogen Bond Donors in a Rational Drug Design |
| Q48044981 | Supramolecular Covalence in Bifurcated Chalcogen Bonding |
| Q37297782 | Supramolecular synthesis based on a combination of hydrogen- and halogen bonds |
| Q51720227 | Synergistic and diminutive effects between halogen bond and lithium bond in complexes involving aromatic compounds. |
| Q33882072 | Synthesis and anticancer activity of new flavonoid analogs and inconsistencies in assays related to proliferation and viability measurements |
| Q47132043 | Synthesis and evaluation of C9 alkoxy analogues of (-)-stepholidine as dopamine receptor ligands |
| Q27682822 | Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases |
| Q64934841 | Tetrel Bonds with π-Electrons Acting as Lewis Bases-Theoretical Results and Experimental Evidences. |
| Q46964629 | Tetrel bond-σ-hole bond as a preliminary stage of the SN2 reaction |
| Q100938825 | The HOX···SO2 (X = F, Cl, Br, I) Binary Complexes: Implications for Atmospheric Chemistry |
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| Q91744326 | The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective |
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| Q53618237 | The X∙∙∙Au interactions in the CF₃X (X = Cl, Br)∙∙∙Au(n) (n = 2, 3, and 4) complexes. |
| Q38539368 | The bright future of unconventional σ/π-hole interactions |
| Q50283309 | The cooperativity between hydrogen and halogen bond in the XY···HNC···XY (X, Y = F, Cl, Br) complexes. |
| Q51553080 | The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes. |
| Q42241441 | The crystal structure of the Dess-Martin periodinane |
| Q47219028 | The effect of atomic ions on model σ-hole bonded complexes of AH3Y (A = C, Si, Ge; Y = F, Cl, Br). |
| Q50216726 | The electronic mechanism ruling the dihydrogen bonds and halogen bonds in weakly bound systems of H3SiH···HOX and H 3SiH···XOH (X = F, Cl, and Br). |
| Q47908788 | The evaluation of QM/MM-driven molecular docking combined with MM/GBSA calculations as a halogen-bond scoring strategy |
| Q53107566 | The generalized maximum hardness principle revisited and applied to atoms and molecules. |
| Q51832859 | The properties of substituted 3D-aromatic neutral carboranes: the potential for σ-hole bonding. |
| Q88877916 | The protonated 2-halogenated imidazolium cation as the noncovalent interaction donor: the σ-hole and π-hole interactions |
| Q84229609 | The role of CS₂ in CS₂/NMP mixed solvent in weakening the hydrogen bond of OH-N in coal: a DFT investigation |
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| Q33853022 | The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts |
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| Q50440166 | Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H···π complexes. |
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| Q43242670 | Theoretical studies of the interaction between enflurane and water |
| Q50877116 | Theoretical study of noncovalent interactions in XCN···YO2H (X = F, Cl, Br, I; Y = P, As, Sb) complexes. |
| Q87281765 | Theoretical study of the complementarity in halogen-bonded complexes involving nitrogen and halogen as negative sites |
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| Q85648586 | Theoretical study on cooperative effects between X⋯N and X⋯Carbene halogen bonds (X = F,Cl,Br and I) |
| Q43263550 | Topological analysis of aromatic halogen/hydrogen bonds by electron charge density and electrostatic potentials |
| Q48171384 | Toward deformation densities for intramolecular interactions without radical reference states using the fragment, atom, localized, delocalized, and interatomic (FALDI) charge density decomposition scheme. |
| Q45193963 | Trends in σ-hole strengths and interactions of F3MX molecules (M = C, Si, Ge and X = F, Cl, Br, I). |
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| Q47301557 | Using halogen bonds to address the protein backbone: a systematic evaluation |
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| Q46558957 | σ-Hole bond versus hydrogen bond: from tetravalent to pentavalent N, P, and as atoms |
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