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Memorial Issue Dedicated to Dr. Howard D. Flack: The Man behind the Flack Parameter
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Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

The book is dedicated to the work and achievements of Howard Flack. It combines articles which describe his own work and the advances he made in the field of crystallography, with original research articles which focus on aspects related to Howard Flack's interests.

Keywords

pyrazine-benzimidazole --- spin crossover --- iron(II) --- ligand field --- nephelauxetic --- arylsulfonates --- pyridinium salt formation --- single-phase solvent system --- sulfonate synthesis --- sulfonyl chlorides --- X-ray crystallography --- crystallography --- Howard Flack --- 2-bromo-3-methylbutyric acid --- 2-bromo-3-methylbutanoic acid --- 2-bromoisovaleric acid --- halogenated carboxylic acid --- hydrogen bonding --- chirality --- absolute configuration --- racemate --- crystal structure --- Flack parameter --- coordination chemistry --- MOFs --- twinning --- structure analysis --- hydroborate --- anions packing --- lanthanide trichloride complexes --- diphosphine dioxide --- coordination complexes --- X-ray structures --- stereoselectivity --- hydrogen-bonding --- complex ion --- disiloxanes --- intermolecular interactions --- Hirshfeld surface analysis --- molecular models --- silicon --- γ-(+)-decalactone --- in situ cryo-crystallization --- flavoring agent --- lactone --- vibrational circular dichroism --- solid–gas reaction --- chemisorption --- nitrosyl --- Flack test --- Erdmann’s anion --- bath salts --- street drugs --- cocaine --- methamphetamine --- methylone --- π–π interactions --- racemic mimics --- kryptoracemic crystallization --- hydrogen-bond propensity --- hydrogen-bond coordination --- supramolecular synthon --- hydrogen-bond energies --- Cambridge Structural Database --- molecular electrostatic potential --- pyrazoles --- Rifamycin O --- ansamysin --- antibacterial --- semi-synthesis --- Alder-Ene --- conformation --- zwitterionic --- n/a --- solid-gas reaction --- Erdmann's anion --- π-π interactions


Book
The Application of Quantum Mechanics in Reactivity of Molecules
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Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.


Book
Memorial Issue Dedicated to Dr. Howard D. Flack: The Man behind the Flack Parameter
Authors: ---
Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Bookmark

Abstract

The book is dedicated to the work and achievements of Howard Flack. It combines articles which describe his own work and the advances he made in the field of crystallography, with original research articles which focus on aspects related to Howard Flack's interests.

Keywords

Technology: general issues --- pyrazine-benzimidazole --- spin crossover --- iron(II) --- ligand field --- nephelauxetic --- arylsulfonates --- pyridinium salt formation --- single-phase solvent system --- sulfonate synthesis --- sulfonyl chlorides --- X-ray crystallography --- crystallography --- Howard Flack --- 2-bromo-3-methylbutyric acid --- 2-bromo-3-methylbutanoic acid --- 2-bromoisovaleric acid --- halogenated carboxylic acid --- hydrogen bonding --- chirality --- absolute configuration --- racemate --- crystal structure --- Flack parameter --- coordination chemistry --- MOFs --- twinning --- structure analysis --- hydroborate --- anions packing --- lanthanide trichloride complexes --- diphosphine dioxide --- coordination complexes --- X-ray structures --- stereoselectivity --- hydrogen-bonding --- complex ion --- disiloxanes --- intermolecular interactions --- Hirshfeld surface analysis --- molecular models --- silicon --- γ-(+)-decalactone --- in situ cryo-crystallization --- flavoring agent --- lactone --- vibrational circular dichroism --- solid-gas reaction --- chemisorption --- nitrosyl --- Flack test --- Erdmann's anion --- bath salts --- street drugs --- cocaine --- methamphetamine --- methylone --- π-π interactions --- racemic mimics --- kryptoracemic crystallization --- hydrogen-bond propensity --- hydrogen-bond coordination --- supramolecular synthon --- hydrogen-bond energies --- Cambridge Structural Database --- molecular electrostatic potential --- pyrazoles --- Rifamycin O --- ansamysin --- antibacterial --- semi-synthesis --- Alder-Ene --- conformation --- zwitterionic --- pyrazine-benzimidazole --- spin crossover --- iron(II) --- ligand field --- nephelauxetic --- arylsulfonates --- pyridinium salt formation --- single-phase solvent system --- sulfonate synthesis --- sulfonyl chlorides --- X-ray crystallography --- crystallography --- Howard Flack --- 2-bromo-3-methylbutyric acid --- 2-bromo-3-methylbutanoic acid --- 2-bromoisovaleric acid --- halogenated carboxylic acid --- hydrogen bonding --- chirality --- absolute configuration --- racemate --- crystal structure --- Flack parameter --- coordination chemistry --- MOFs --- twinning --- structure analysis --- hydroborate --- anions packing --- lanthanide trichloride complexes --- diphosphine dioxide --- coordination complexes --- X-ray structures --- stereoselectivity --- hydrogen-bonding --- complex ion --- disiloxanes --- intermolecular interactions --- Hirshfeld surface analysis --- molecular models --- silicon --- γ-(+)-decalactone --- in situ cryo-crystallization --- flavoring agent --- lactone --- vibrational circular dichroism --- solid-gas reaction --- chemisorption --- nitrosyl --- Flack test --- Erdmann's anion --- bath salts --- street drugs --- cocaine --- methamphetamine --- methylone --- π-π interactions --- racemic mimics --- kryptoracemic crystallization --- hydrogen-bond propensity --- hydrogen-bond coordination --- supramolecular synthon --- hydrogen-bond energies --- Cambridge Structural Database --- molecular electrostatic potential --- pyrazoles --- Rifamycin O --- ansamysin --- antibacterial --- semi-synthesis --- Alder-Ene --- conformation --- zwitterionic


Book
Memorial Issue Dedicated to Dr. Howard D. Flack: The Man behind the Flack Parameter
Authors: ---
Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

Loading...
Export citation

Choose an application

Bookmark

Abstract

The book is dedicated to the work and achievements of Howard Flack. It combines articles which describe his own work and the advances he made in the field of crystallography, with original research articles which focus on aspects related to Howard Flack's interests.

Keywords

Technology: general issues --- pyrazine-benzimidazole --- spin crossover --- iron(II) --- ligand field --- nephelauxetic --- arylsulfonates --- pyridinium salt formation --- single-phase solvent system --- sulfonate synthesis --- sulfonyl chlorides --- X-ray crystallography --- crystallography --- Howard Flack --- 2-bromo-3-methylbutyric acid --- 2-bromo-3-methylbutanoic acid --- 2-bromoisovaleric acid --- halogenated carboxylic acid --- hydrogen bonding --- chirality --- absolute configuration --- racemate --- crystal structure --- Flack parameter --- coordination chemistry --- MOFs --- twinning --- structure analysis --- hydroborate --- anions packing --- lanthanide trichloride complexes --- diphosphine dioxide --- coordination complexes --- X-ray structures --- stereoselectivity --- hydrogen-bonding --- complex ion --- disiloxanes --- intermolecular interactions --- Hirshfeld surface analysis --- molecular models --- silicon --- γ-(+)-decalactone --- in situ cryo-crystallization --- flavoring agent --- lactone --- vibrational circular dichroism --- solid–gas reaction --- chemisorption --- nitrosyl --- Flack test --- Erdmann’s anion --- bath salts --- street drugs --- cocaine --- methamphetamine --- methylone --- π–π interactions --- racemic mimics --- kryptoracemic crystallization --- hydrogen-bond propensity --- hydrogen-bond coordination --- supramolecular synthon --- hydrogen-bond energies --- Cambridge Structural Database --- molecular electrostatic potential --- pyrazoles --- Rifamycin O --- ansamysin --- antibacterial --- semi-synthesis --- Alder-Ene --- conformation --- zwitterionic --- n/a --- solid-gas reaction --- Erdmann's anion --- π-π interactions

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