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References from Halogen in materials design: Revealing the nature of hydrogen bonding and other non-covalent interactions in the polymorphic transformations of methylammonium lead tribromide perovskite. Local targets link to admitted publications; unresolved targets remain external evidence.
Halogen bonds in crystal engineering: like hydrogen bonds yet different
10.1021/ar5001555 · 2014 · External reference
Principles and applications of halogen bonding in medicinal chemistry and chemical biology
10.1021/jm3012068 · 2013 · External reference
Halogen-bonding-triggered supramolecular gel formation
10.1038/nchem.1496 · 2013 · External reference
The halogen bond
10.1021/acs.chemrev.5b00484 · 2016 · External reference
Noncovalent intermolecular interactions in organic electronic materials: implications for the molecular packing vs electronic properties of acenes
10.1021/acs.chemmater.5b03266 · 2016 · External reference
Noncovalent interactions and impact of charge penetration effects in linear Oligoacene dimers and single crystals
10.1021/acs.chemmater.6b01340 · 2016 · External reference
Halogen bonding-a novel interaction for rational drug design?
10.1021/jm9000133 · 2009 · External reference
Definition of the hydrogen bond (IUPAC recommendations 2011)
10.1351/pac-rec-10-01-02 · 2011 · External reference
Halogen bonding: the σ-hole
10.1007/s00894-006-0130-2 · 2007 · External reference
Definition of the halogen bond (IUPAC recommendations 2013)
10.1351/pac-rec-12-05-10 · 2013 · External reference
Significant evidence of C···O and C···C long-range contacts in several heterodimeric complexes of CO with CH3-X, should one refer to them as carbon and dicarbon bonds!
10.1039/c4cp01775g · 2014 · External reference
Cooperativity of halogen, chalcogen, and pnictogen bonds in infinite molecular chains by electronic structure theory
10.1021/jp5015302 · 2014 · External reference
Tetrel, pnictogen and chalcogen bonds identified in the gas phase before they had names: a systematic look at non-covalent interactions
10.1039/c7cp02518a · 2017 · External reference
Characterizing the strength of individual hydrogen bonds in DNA base pairs
10.1021/ci100288h · 2010 · External reference
Phase transitions in the perovskite methylammonium lead bromide, CH3ND3PbBr3
10.1016/s0022-4596(03)00352-9 · 2003 · External reference
Role of hydrogen bonding and its interplay with octahedral tilting in CH3NH3PbI3
10.1039/c5cc00979k · 2015 · External reference
Resolving the physical origin of octahedral tilting in halide perovskites
10.1021/acs.chemmater.6b00968 · 2016 · External reference
The nature of hydrogen-bonding interaction in the prototypic hybrid halide perovskite, tetragonal CH3NH3PbI3
10.1038/srep21687 · 2016 · External reference
Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352K
10.1039/c4cc09944c · 2015 · External reference
Orientation of organic cations in hybrid inorganic-organic perovskite CH3NH3PbI3 from subatomic resolution single crystal neutron diffraction structural studies
10.1021/acs.cgd.6b00297 · 2016 · External reference
Semiconducting tin and lead iodide perovskites with organic cations: phase transitions, high mobilities, and near-infrared photoluminescent properties
10.1021/ic401215x · 2013 · External reference
Hydrogen-bonding evolution during the polymorphic transformations in CH3NH3PbBr3: experiment and theory
10.1021/acs.chemmater.7b01630 · 2017 · External reference
Hybrid organic–inorganic CH3NH3PbI3 perovskite building blocks: revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design
10.1002/jcc.25073 · 2017 · External reference
Revealing the chemistry between bandgap and binding energy for Pb/Sn-based trihalide perovskite solar cell semiconductors
2017 · External reference
How strong is the hydrogen bond in hybrid perovskites?
10.1021/acs.jpclett.7b03106 · 2017 · External reference
Hydrogen bonding and stability of hybrid organic-inorganic perovskites
10.1002/cssc.201600864 · 2016 · External reference
Structures, phase transitions and tricritical behavior of the hybrid perovskite methyl ammonium lead iodide
10.1038/srep35685 · 2016 · External reference
Low surface recombination velocity in solution-grown CH3NH3PbBr3 perovskite single crystal
10.1038/ncomms8961 · 2015 · External reference
Photostriction of CH3NH3PbBr3 perovskite crystals
10.1002/adma.201701789 · 2017 · External reference
The same and not the same: molecular perovskites and their solid-state analogues
10.1039/c7mh00107j · 2017 · External reference
How lead halide complex chemistry dictates the composition of mixed halide perovskites
10.1021/acs.jpclett.6b00433 · 2016 · External reference
Unresolved reference
External reference
Ab initio molecular dynamics for liquid metals
10.1103/physrevb.47.558 · 1993 · External reference
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
10.1103/physrevb.49.14251 · 1994 · External reference
Unresolved reference
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Bond paths are not chemical bonds
10.1021/jp906341r · 2009 · External reference
Unresolved reference
2007 · External reference
Unresolved reference
External reference
The density in density functional theory
10.1016/j.theochem.2009.10.022 · 2010 · External reference
Unresolved reference
External reference
Revealing noncovalent interactions
10.1021/ja100936w · 2010 · External reference
The C−H···O hydrogen bond: Structural implications and supramolecular design
10.1021/ar950135n · 1996 · External reference
Very long C–H···O contacts can be weak hydrogen bonds: experimental evidence from crystalline [Cr(CO)3{η6-[7-exo-(CCH)C7H7]}]
10.1039/a706980d · 1998 · External reference
Unresolved reference
1999 · External reference
Exploring the lower limit in hydrogen bonds: analysis of weak C-H...O and C-H...p interactions in substituted coumarins from charge density analysis
10.1021/jp046388s · 2005 · External reference
Direct quantitative measurement of the C—O...H-C bond by atomic force microscopy
10.1126/sciadv.1603258 · 2017 · External reference
Double hole-lump interaction between halogen atoms
10.1021/jp511118s · 2015 · External reference
Projector augmented-wave method
10.1103/physrevb.50.17953 · 1994 · External reference
From ultrasoft pseudopotentials to the projector augmented-wave method
10.1103/physrevb.59.1758 · 1999 · External reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Generalized gradient approximation made simple
10.1103/physrevlett.78.1396 · 1997 · External reference
Unresolved reference
2013 · External reference
Unresolved reference
2000 · External reference
Structural effects in octahedral carbonyl complexes: an atoms-in-molecules study
10.1007/s00214-017-2116-9 · 2017 · External reference
Early days of quantum crystallography: a personal account
2017 · External reference
Density functional theory and Bader's atoms-in-molecules theory: towards a vivid dialogue
10.1039/c3cp55526g · 2014 · External reference
On atoms-in-molecules energies from Kohn-Sham calculations
10.1002/cphc.201700637 · 2017 · External reference
Hydrogen bonding without borders: an atoms-in-molecules perspective
10.1021/jp060571z · 2006 · External reference
The future of topological analysis in experimental charge-density research
2017 · External reference
What is the covalency of hydrogen bonding?
10.1021/cr800346f · 2011 · External reference
Methylammonium lead trihalide perovskite solar cell semiconductors are not Organometallic: a perspective
10.1002/hlca.201700090 · 2017 · External reference
Shared and closed-shell O-O interactions in silicates
10.1021/jp076396j · 2008 · External reference
Characterization of a closed-shell fluorine−fluorine bonding interaction in aromatic compounds on the basis of the electron density
10.1021/jp045044z · 2005 · External reference
On atom-atom ‘short contact’ bonding interactions in crystals
10.1107/s2052252515002067 · 2015 · External reference
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
2017 · External reference
Characterization of C-H-O hydrogen bonds on the basis of the charge density
10.1021/j100024a016 · 1995 · External reference
Are bond critical points really critical for hydrogen bonding?
10.1021/ct400420r · 2013 · External reference
Intramolecular hydrogen bonding in substituted aminoalcohols
10.1021/acs.jpca.6b05898 · 2016 · External reference
Intramolecular hydrogen bonding in methyl lactate
10.1021/acs.jpca.5b04812 · 2015 · External reference
Similar strength of the NH···O and NH···S hydrogen bonds in binary complexes
10.1021/jp5086679 · 2014 · External reference
Intramolecular interactions in 2-Aminoethanol and 3-Aminopropanol
10.1021/jp405512y · 2013 · External reference
The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells
10.1038/ncomms8124 · 2015 · External reference
Microscopic origin of entropy-driven polymorphism in hybrid organic-inorganic perovskite materials
10.1103/physrevb.94.180103 · 2016 · External reference
Modeling of thermal effect on the electronic properties of photovoltaic perovskite CH3NH3PbI3: the case of tetragonal phase
10.1021/acs.jpcc.6b01013 · 2016 · External reference
Local polar fluctuations in lead halide perovskite crystals
10.1103/physrevlett.118.136001 · 2017 · External reference
Electronic structure of organometal halide perovskite CH3NH3BiI3 and optical absorption extending to infrared region
10.1038/srep37425 · 2016 · External reference
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
10.1063/1.3382344 · 2010 · External reference
Effect of the damping function in dispersion corrected density functional theory
10.1002/jcc.21759 · 2011 · External reference
The anti-polar structure of CH3NH3PbBr3
10.3938/jkps.51.850 · 2007 · External reference
Crystal structure and electron transition underlying photoluminescence of methylammonium lead bromide perovskites
10.1039/c7tc01945a · 2017 · External reference
Electronic structure and optical properties of α-CH3NH3PbBr3 perovskite single crystal
10.1021/acs.jpclett.5b01699 · 2015 · External reference
A cartography of the van der Waals territories
10.1039/c3dt50599e · 2013 · External reference
On the strength of the halogen bonds: Mutual penetration, atomic quadrupole moment and Laplacian distribution of the charge density analyses
10.1016/j.comptc.2012.07.019 · 2012 · External reference
Unresolved reference
External reference
On the strength of the halogen bonds: mutual penetration, atomic quadrupole moment and Laplacian distribution of the charge density analyses
10.1016/j.comptc.2012.07.019 · 2012 · External reference
From crystal statics to chemical dynamics
10.1021/ar00089a002 · 1983 · External reference
[C6H5NH(CH3)2]2Te2I10: secondary I-I bonds build up a 3D network
10.1021/ic049443k · 2004 · External reference
The classification of tilted octahedra in perovskites
10.1107/s0567740872007976 · 1972 · External reference
Comparison of the AIM delocalization index and the Mayer and Fuzzy atom bond orders
10.1021/jp0538464 · 2005 · External reference
Endohedral fullerenes
10.1021/cr300297r · 2013 · External reference
Die Gesetze der Krystallochemie
10.1007/bf01507527 · 1926 · External reference
Formability of ABX3 (X = F, Cl, Br, I) halide perovskites
10.1107/s0108768108032734 · 2008 · External reference
The X-C-Y (X = O/F, Y = O/S/F/Cl/Br/N/P) ‘carbon bond’ and hydrophobic interactions
10.1039/c3cp51658j · 2013 · External reference
On the ultrafast charge migration dynamics in isolated ionized halogen, chalcogen, pnicogen, and tetrel bonded clusters
10.1016/j.chemphys.2016.02.018 · 2016 · External reference
Tetrel bonding interactions
10.1002/tcr.201500256 · 2016 · External reference
Characterization of N-O non-covalent interactions involving σ-holes: “electrostatics” or “dispersion”
10.1039/c6cp05899j · 2016 · External reference
Extended halogen bonding between fully fluorinated aromatic molecules
10.1021/nn505876n · 2015 · External reference
Unusual bonding modes of perfluorobenzene in its polymeric (dimeric, trimeric and tetrameric) forms: entirely negative fluorine interacting cooperatively with entirely negative fluorine
10.1039/c5cp03209a · 2015 · External reference
Fluorines in tetrafluoromethane as halogen bond donors: revisiting address the nature of the fluorine's σ-hole
10.1002/qua.24877 · 2015 · External reference
Can an entirely negative fluorine in a molecule, viz. perfluorobenzene, interact attractively with the entirely negative site (s) on another molecule (s)? Like liking like!
10.1039/c5ra27039a · 2016 · External reference
Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? Like attracting like!
10.1002/jcc.25125 · 2018 · External reference
Fermionic hubbard model with Rashba or Dresselhaus spin-orbit coupling
10.1088/1367-2630/aa6e31 · 2017 · External reference
New perspectives for Rashba spin-orbit coupling
10.1038/nmat4360 · 2015 · External reference
Effects in hybrid organic-inorganic perovskites: from basics to devices
10.1021/acsnano.5b04409 · 2015 · External reference
Giant Rashba splitting in 2D organic-inorganic halide perovskites measured by transient spectroscopies
10.1126/sciadv.1700704 · 2017 · External reference
Perspective: theory and simulation of hybrid halide perovskites
10.1063/1.4984964 · 2017 · External reference
Oscillatory effects and the magnetic susceptibility of carriers in inversion layers
10.1088/0022-3719/17/33/015 · 1984 · External reference
Experimental and theoretical optical properties of methylammonium lead halide perovskites
10.1039/c5nr05435d · 2016 · External reference
Structure of the ammonia dimer studied by density functional theory
10.1002/qua.560490507 · 1994 · External reference
Hydrogen bond energy of the water dimer
10.1021/jp952860l · 1996 · External reference
Simultaneous visualization of covalent and noncovalent interactions using regions of density overlap
10.1021/ct500490b · 2014 · External reference
Under the spotlight: the organic–inorganic hybrid halide perovskite for optoelectronic applications
10.1016/j.nantod.2015.04.009 · 2015 · External reference
Rotational dynamics of organic cations in the CH3NH3PbI3 perovskite
10.1039/c5cp05348j · 2015 · External reference
Imaging the halogen bond in self-assembled halogenbenzenes on silver
10.1126/science.aai8625 · 2017 · External reference
Indirect to direct bandgap transition in methylammonium lead halide perovskite
10.1039/c6ee03474h · 2017 · External reference
Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications
10.1039/c3ta10518k · 2013 · External reference
Structural and optical properties of methylammonium lead iodide across the tetragonal to cubic phase transition: implications for perovskite solar cells
10.1039/c5ee02925b · 2016 · External reference
Unresolved reference
2015 · External reference
Ferroelectric domain wall induced band gap reduction and charge separation in organometal halide perovskites
10.1021/jz502666j · 2015 · External reference
Unresolved reference
2007 · External reference
Topological definition of crystal structure: determination of the bonded interactions in solid molecular chlorine
10.1107/s0108767394009463 · 1995 · External reference
Theoretical evaluation of strain, bent bonds, and bonding behavior of strained organic molecules
10.1021/jp9634262 · 1997 · External reference
Bent bonds in organic compounds
10.1021/ar950207a · 1996 · External reference
Unresolved reference
2002 · External reference
Halogen bonding in DNA base pairs
10.1021/ja2105027 · 2012 · External reference
Unresolved reference
1991 · External reference
Unresolved reference
1997 · External reference
The hydrogen bond in the solid state
10.1002/1521-3773(20020104)41:1<48::aid-anie48>3.0.co;2-u · 2002 · External reference
Unresolved reference
2009 · External reference
Unresolved reference
1997 · External reference
C–H···O hydrogen bonding in crystals
10.1080/08893110310001621772 · 2003 · External reference
Unresolved reference
2006 · External reference
Structural aspects of the intermolecular hydrogen bond strength: H-bonded complexes of aniline, phenol and pyridine derivatives
10.1002/poc.1394 · 2008 · External reference
Hydrogen bridges in crystal engineering: interactions without borders
10.1021/ar010054t · 2002 · External reference
Carbon-oxygen hydrogen bonding in biological structure and function
10.1074/jbc.r112.418574 · 2012 · External reference
Are halogen bonded structures electrostatically driven?
10.1021/ja401420w · 2013 · External reference
Halogen bonding: an electrostatically-driven highly directional noncovalent interaction
10.1039/c004189k · 2010 · External reference
Halogen bonding and other σ-hole interactions: a perspective
10.1039/c3cp00054k · 2013 · External reference