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Noncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified—their energetic and spatial properties have been tabulated. In the past, most studies were limited to analyzing the single strongest interaction in the molecular system under consideration, which is responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, this requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation. This Special Issue collects ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti-cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics, and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure.

Research & information: general --- solvent effect --- hydrogen bond --- NMR --- condensed matter --- polarizable continuum model --- reaction field --- external electric field --- proton transfer --- halogen bond --- phosphine oxide --- 31P NMR spectroscopy --- IR spectroscopy --- non-covalent interactions --- spectral correlations --- Reaction mechanism --- first-principle calculation --- Bader charge analysis --- activation energy --- transition state structure --- conventional and non-conventional H-bonds --- empirical Grimme corrections --- lattice energy of organic salts --- computation of low-frequency Raman spectra --- confinement --- solid-state NMR --- molecular dynamics --- interfaces and surfaces --- substituent effect --- aromaticity --- adenine --- Lewis acid–Lewis base interactions --- tetrel bond --- pnicogen bond --- triel bond --- electron charge shifts --- proton dynamics --- carboxyl group --- CPMD --- DFT --- IINS --- IR --- Raman --- crystal engineering --- halogen bonding --- azo dyes --- QTAIM --- dispersion --- ketone–alcohol complexes --- density functional theory --- hydrogen bonds --- molecular recognition --- vibrational spectroscopy --- gas phase --- benchmark --- pinacolone --- deuteration --- heavy drugs --- histamine receptor --- hydrogen bonding --- receptor activation --- n/a --- Lewis acid-Lewis base interactions --- ketone-alcohol complexes

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• Reference Manager
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Noncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified—their energetic and spatial properties have been tabulated. In the past, most studies were limited to analyzing the single strongest interaction in the molecular system under consideration, which is responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, this requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation. This Special Issue collects ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti-cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics, and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure.

solvent effect --- hydrogen bond --- NMR --- condensed matter --- polarizable continuum model --- reaction field --- external electric field --- proton transfer --- halogen bond --- phosphine oxide --- 31P NMR spectroscopy --- IR spectroscopy --- non-covalent interactions --- spectral correlations --- Reaction mechanism --- first-principle calculation --- Bader charge analysis --- activation energy --- transition state structure --- conventional and non-conventional H-bonds --- empirical Grimme corrections --- lattice energy of organic salts --- computation of low-frequency Raman spectra --- confinement --- solid-state NMR --- molecular dynamics --- interfaces and surfaces --- substituent effect --- aromaticity --- adenine --- Lewis acid–Lewis base interactions --- tetrel bond --- pnicogen bond --- triel bond --- electron charge shifts --- proton dynamics --- carboxyl group --- CPMD --- DFT --- IINS --- IR --- Raman --- crystal engineering --- halogen bonding --- azo dyes --- QTAIM --- dispersion --- ketone–alcohol complexes --- density functional theory --- hydrogen bonds --- molecular recognition --- vibrational spectroscopy --- gas phase --- benchmark --- pinacolone --- deuteration --- heavy drugs --- histamine receptor --- hydrogen bonding --- receptor activation --- n/a --- Lewis acid-Lewis base interactions --- ketone-alcohol complexes

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• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Noncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified—their energetic and spatial properties have been tabulated. In the past, most studies were limited to analyzing the single strongest interaction in the molecular system under consideration, which is responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, this requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation. This Special Issue collects ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti-cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics, and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure.

Research & information: general --- solvent effect --- hydrogen bond --- NMR --- condensed matter --- polarizable continuum model --- reaction field --- external electric field --- proton transfer --- halogen bond --- phosphine oxide --- 31P NMR spectroscopy --- IR spectroscopy --- non-covalent interactions --- spectral correlations --- Reaction mechanism --- first-principle calculation --- Bader charge analysis --- activation energy --- transition state structure --- conventional and non-conventional H-bonds --- empirical Grimme corrections --- lattice energy of organic salts --- computation of low-frequency Raman spectra --- confinement --- solid-state NMR --- molecular dynamics --- interfaces and surfaces --- substituent effect --- aromaticity --- adenine --- Lewis acid-Lewis base interactions --- tetrel bond --- pnicogen bond --- triel bond --- electron charge shifts --- proton dynamics --- carboxyl group --- CPMD --- DFT --- IINS --- IR --- Raman --- crystal engineering --- halogen bonding --- azo dyes --- QTAIM --- dispersion --- ketone-alcohol complexes --- density functional theory --- hydrogen bonds --- molecular recognition --- vibrational spectroscopy --- gas phase --- benchmark --- pinacolone --- deuteration --- heavy drugs --- histamine receptor --- hydrogen bonding --- receptor activation --- solvent effect --- hydrogen bond --- NMR --- condensed matter --- polarizable continuum model --- reaction field --- external electric field --- proton transfer --- halogen bond --- phosphine oxide --- 31P NMR spectroscopy --- IR spectroscopy --- non-covalent interactions --- spectral correlations --- Reaction mechanism --- first-principle calculation --- Bader charge analysis --- activation energy --- transition state structure --- conventional and non-conventional H-bonds --- empirical Grimme corrections --- lattice energy of organic salts --- computation of low-frequency Raman spectra --- confinement --- solid-state NMR --- molecular dynamics --- interfaces and surfaces --- substituent effect --- aromaticity --- adenine --- Lewis acid-Lewis base interactions --- tetrel bond --- pnicogen bond --- triel bond --- electron charge shifts --- proton dynamics --- carboxyl group --- CPMD --- DFT --- IINS --- IR --- Raman --- crystal engineering --- halogen bonding --- azo dyes --- QTAIM --- dispersion --- ketone-alcohol complexes --- density functional theory --- hydrogen bonds --- molecular recognition --- vibrational spectroscopy --- gas phase --- benchmark --- pinacolone --- deuteration --- heavy drugs --- histamine receptor --- hydrogen bonding --- receptor activation

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This collection of articles focuses on different aspects of the study of organic conductors. Recent progress in both theoretical and experimental studies is covered in this Special Issue. Papers on a wide variety of studies are categorized into representative topics of chemistry and physics. Besides classical studies on the crystalline organic conductors, applied studies on semiconducting thin films and a number of new topics shared with inorganic materials are also discussed.

Technology: general issues --- Chemical engineering --- organic π-radical --- molecular conductor --- phthalocyanine --- three-dimensional network --- three-dimensional electronic system --- organic conductors --- bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) --- bis(ethylenediseleno)tetrathiafulvalene (BEST) --- bis(ethylenedithio)tetraselenafulvalene (BETS) --- electrical resistivity --- magnetic susceptibility --- X-ray analysis --- charge-ordered state --- quantum chemical calculations --- Madelung energy --- magnetic property --- reversible transformation --- spin ladder --- nodal line semimetal --- single-component molecular conductor --- conductivity --- DOS --- tight-binding model --- interacting electrons in one dimension --- electronic and lattice instabilities --- renormalization group method --- X-ray diffraction --- single crystal --- electron density --- molecular orbital --- single-component molecular conductors --- extended-TTF dithiolate ligands --- gold dithiolate complexes --- (BETS)2Fe1−xGaxCl4 --- π-d interaction --- NMR --- charge glass --- heat capacity --- electric current --- electric voltage --- Boson peak --- chirality --- tetrathiafulvalene --- crystal structures --- band structure calculations --- hydrogen bonding --- charge-transfer salts --- (TMTTF)2X --- deuteration --- anions --- charge transport --- tunnel junction --- MOCVD --- quantum well --- co-doping --- solar cells --- (TMTSF)8(I3)5 --- (TMTSF)5(I3)2 --- (TMTSF)4(I3)4·THF --- organic conductor --- crystal structure --- high pressure --- DFT --- MP2 --- organic superconductors --- Beechgard salts --- Maxwell-Garnett approximation --- high-Tc --- pressure effect --- Dirac electron system --- resistivity --- magnetoresistance --- synchrotron X-ray diffraction --- band calculation --- correlated electron materials --- layered organic conductor --- unconventional superconductivity --- vortex dynamics --- d-wave pairing symmetry --- superconducting gap structure --- magnetic field --- flux-flow resistivity --- charge-ordered insulator --- electric double layer transistor --- organic field-effect transistor --- π-d system --- Mott insulator --- strongly correlated electron system --- multiferroic --- dielectric --- photoconductor --- organic semiconductors --- molecular orbitals --- pyroelectricity --- temperature modulation --- molecular ferroelectrics --- radiative temperature control --- thermal diffusion model --- lithium niobate --- first-principles calculation --- density-functional theory --- charge ordering --- hybrid functional --- electronic structure --- nickel-dithiolene complex --- cycloalkane substituent --- crystalline organic charge-transfer complexes --- disordered systems --- overlap integrals --- extended Hückel approximation --- Dirac electrons --- zero-gap semiconductors --- merging of Dirac cones --- organic π-radical --- molecular conductor --- phthalocyanine --- three-dimensional network --- three-dimensional electronic system --- organic conductors --- bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) --- bis(ethylenediseleno)tetrathiafulvalene (BEST) --- bis(ethylenedithio)tetraselenafulvalene (BETS) --- electrical resistivity --- magnetic susceptibility --- X-ray analysis --- charge-ordered state --- quantum chemical calculations --- Madelung energy --- magnetic property --- reversible transformation --- spin ladder --- nodal line semimetal --- single-component molecular conductor --- conductivity --- DOS --- tight-binding model --- interacting electrons in one dimension --- electronic and lattice instabilities --- renormalization group method --- X-ray diffraction --- single crystal --- electron density --- molecular orbital --- single-component molecular conductors --- extended-TTF dithiolate ligands --- gold dithiolate complexes --- (BETS)2Fe1−xGaxCl4 --- π-d interaction --- NMR --- charge glass --- heat capacity --- electric current --- electric voltage --- Boson peak --- chirality --- tetrathiafulvalene --- crystal structures --- band structure calculations --- hydrogen bonding --- charge-transfer salts --- (TMTTF)2X --- deuteration --- anions --- charge transport --- tunnel junction --- MOCVD --- quantum well --- co-doping --- solar cells --- (TMTSF)8(I3)5 --- (TMTSF)5(I3)2 --- (TMTSF)4(I3)4·THF --- organic conductor --- crystal structure --- high pressure --- DFT --- MP2 --- organic superconductors --- Beechgard salts --- Maxwell-Garnett approximation --- high-Tc --- pressure effect --- Dirac electron system --- resistivity --- magnetoresistance --- synchrotron X-ray diffraction --- band calculation --- correlated electron materials --- layered organic conductor --- unconventional superconductivity --- vortex dynamics --- d-wave pairing symmetry --- superconducting gap structure --- magnetic field --- flux-flow resistivity --- charge-ordered insulator --- electric double layer transistor --- organic field-effect transistor --- π-d system --- Mott insulator --- strongly correlated electron system --- multiferroic --- dielectric --- photoconductor --- organic semiconductors --- molecular orbitals --- pyroelectricity --- temperature modulation --- molecular ferroelectrics --- radiative temperature control --- thermal diffusion model --- lithium niobate --- first-principles calculation --- density-functional theory --- charge ordering --- hybrid functional --- electronic structure --- nickel-dithiolene complex --- cycloalkane substituent --- crystalline organic charge-transfer complexes --- disordered systems --- overlap integrals --- extended Hückel approximation --- Dirac electrons --- zero-gap semiconductors --- merging of Dirac cones

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

This collection of articles focuses on different aspects of the study of organic conductors. Recent progress in both theoretical and experimental studies is covered in this Special Issue. Papers on a wide variety of studies are categorized into representative topics of chemistry and physics. Besides classical studies on the crystalline organic conductors, applied studies on semiconducting thin films and a number of new topics shared with inorganic materials are also discussed.

organic π-radical --- molecular conductor --- phthalocyanine --- three-dimensional network --- three-dimensional electronic system --- organic conductors --- bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) --- bis(ethylenediseleno)tetrathiafulvalene (BEST) --- bis(ethylenedithio)tetraselenafulvalene (BETS) --- electrical resistivity --- magnetic susceptibility --- X-ray analysis --- charge-ordered state --- quantum chemical calculations --- Madelung energy --- magnetic property --- reversible transformation --- spin ladder --- nodal line semimetal --- single-component molecular conductor --- conductivity --- DOS --- tight-binding model --- interacting electrons in one dimension --- electronic and lattice instabilities --- renormalization group method --- X-ray diffraction --- single crystal --- electron density --- molecular orbital --- single-component molecular conductors --- extended-TTF dithiolate ligands --- gold dithiolate complexes --- (BETS)2Fe1−xGaxCl4 --- π-d interaction --- NMR --- charge glass --- heat capacity --- electric current --- electric voltage --- Boson peak --- chirality --- tetrathiafulvalene --- crystal structures --- band structure calculations --- hydrogen bonding --- charge-transfer salts --- (TMTTF)2X --- deuteration --- anions --- charge transport --- tunnel junction --- MOCVD --- quantum well --- co-doping --- solar cells --- (TMTSF)8(I3)5 --- (TMTSF)5(I3)2 --- (TMTSF)4(I3)4·THF --- organic conductor --- crystal structure --- high pressure --- DFT --- MP2 --- organic superconductors --- Beechgard salts --- Maxwell-Garnett approximation --- high-Tc --- pressure effect --- Dirac electron system --- resistivity --- magnetoresistance --- synchrotron X-ray diffraction --- band calculation --- correlated electron materials --- layered organic conductor --- unconventional superconductivity --- vortex dynamics --- d-wave pairing symmetry --- superconducting gap structure --- magnetic field --- flux-flow resistivity --- charge-ordered insulator --- electric double layer transistor --- organic field-effect transistor --- π–d system --- Mott insulator --- strongly correlated electron system --- multiferroic --- dielectric --- photoconductor --- organic semiconductors --- molecular orbitals --- pyroelectricity --- temperature modulation --- molecular ferroelectrics --- radiative temperature control --- thermal diffusion model --- lithium niobate --- first-principles calculation --- density-functional theory --- charge ordering --- hybrid functional --- electronic structure --- nickel–dithiolene complex --- cycloalkane substituent --- crystalline organic charge-transfer complexes --- disordered systems --- overlap integrals --- extended Hückel approximation --- Dirac electrons --- zero-gap semiconductors --- merging of Dirac cones --- n/a --- π-d system --- nickel-dithiolene complex --- extended Hückel approximation