(Q57407824)

Electronic basis of improper hydrogen bonding: a subtle balance of hyperconjugation and rehybridization

21 January 2018

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Racing carbon atoms. Atomic motion reaction coordinates and structural effects on Newtonian kinetic isotope effects

21 January 2018

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Newtonian kinetic isotope effects. Observation, prediction, and origin of heavy-atom dynamic isotope effects

21 January 2018

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Chemical Bonding in Higher Main Group Elements

21 January 2018

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Distribution of atomic s character in molecules and its chemical implications

21 January 2018

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An Appraisal of Valence-bond Structures and Hybridization in Compounds of the First-row elements.

21 January 2018

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The hydrogen bond in ice probed by soft x-ray spectroscopy and density functional theory.

21 January 2018

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Solvent polarization and kinetic isotope effects in nitroethane deprotonation and implications to the nitroalkane oxidase reaction.

21 January 2018

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Conformational equilibrium isotope effects in glucose by (13)C NMR spectroscopy and computational studies

21 January 2018

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Directing power of cyclobutenoid annelations on the double bonds of planar cyclooctatetraenes

21 January 2018

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p-Benzyne Derivatives That Have Exceptionally Small Singlet−Triplet Gaps and Even a Triplet Ground State

21 January 2018

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A DFT study of the amination of fullerenes and carbon nanotubes: reactivity and curvature.

21 January 2018

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Understanding organofluorine chemistry. An introduction to the C-F bond

21 January 2018

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Substituent effects on the Bergman cyclization of (Z)-1,5-hexadiyne-3-enes: a systematic computational study

21 January 2018

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Concerted reactions that produce diradicals and zwitterions: electronic, steric, conformational, and kinetic control of cycloaromatization processes

21 January 2018

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Second-generation difluorinated cyclooctynes for copper-free click chemistry.

21 January 2018

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Selective transition state stabilization via hyperconjugative and conjugative assistance: stereoelectronic concept for copper-free click chemistry.

21 January 2018

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Moderating strain without sacrificing reactivity: design of fast and tunable noncatalyzed alkyne-azide cycloadditions via stereoelectronically controlled transition state stabilization.

21 January 2018

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Alkynyl crown ethers as a scaffold for hyperconjugative assistance in noncatalyzed azide-alkyne click reactions: ion sensing through enhanced transition-state stabilization.

21 January 2018

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21 January 2018

Natural hybrid orbitals

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New synthetic and structural aspects in the chemistry of alkylaluminum fluorides. The mutual influence of hard and soft ligands and the hybridization as rigorous structural criterion

21 January 2018

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Hybridization trends for main group elements and expanding the Bent's rule beyond carbon: more than electronegativity

21 January 2018

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21 January 2018

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Carbocations generated under stable conditions by ionization of matrix-isolated radicals: the allyl and benzyl cations

21 January 2018

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The nature of resonance in allyl ions and radical.

21 January 2018

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Resonance energies of the allyl cation and allyl anion: contribution by resonance and inductive effects toward the acidity and hydride abstraction enthalpy of propene

21 January 2018

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Hyperconjugation not steric repulsion leads to the staggered structure of ethane

21 January 2018

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The Case for Steric Repulsion Causing the Staggered Conformation of Ethane

21 January 2018

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Teaching the right reasons: lessons from the mistaken origin of the rotational barrier in ethane

21 January 2018

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Will we soon be fueling our automobiles with ammonia-borane?

21 January 2018

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Readily Available Unprotected Amino Aldehydes

21 January 2018

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Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium−Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon

21 January 2018

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21 January 2018

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Comments on “Is It Time To Retire the Hybrid Atomic Orbital?”

21 January 2018

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Hydration of Sulfo and Methyl Groups in Dimethyl Sulfoxide Is Accompanied by the Formation of Red-Shifted Hydrogen Bonds and Improper Blue-Shifted Hydrogen Bonds: An ab Initio Quantum Chemical Study

21 January 2018

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First local minimum of the formic acid dimer exhibits simultaneously red-shifted O–H⋯O and improper blue-shifted C–H⋯O hydrogen bonds

21 January 2018

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