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Accounts of Chemical Research, ISSN 0001-4842, 02/2011, Volume 44, Issue 2, pp. 101 - 110
A computational study of a catalytic cycle generates state energies (the E-representation), whereas experiments lead to rate constants (the k-representation).... 
ALKENES | MECHANISM | RATE-LIMITING STEP | ENERGIES | CHEMISTRY, MULTIDISCIPLINARY | COMPLEXES | Catalysis | Chemical properties | Quantum chemistry | Transition state (Chemistry) | Metal catalysts | Analysis
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 11/2016, Volume 18, Issue 44, pp. 3366 - 3369
The so-called anion-π interactions are dissected to test if indeed the π system of the aromatic ring is the reason for the bond. In contrast, due to σ-holes... 
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 11/2016, Volume 18, Issue 44, pp. 30366 - 30369
The so-called anion-π interactions are dissected to test if indeed the π system of the aromatic ring is the reason for the bond. In contrast, due to σ-holes... 
Journal Article
Organic Letters, ISSN 1523-7060, 08/2014, Volume 16, Issue 16, pp. 4102 - 4105
A bridged tetrahedryl-tetrahedrane (“TT”) was, theoretically, recognized as the holder of the chemical record for the shortest C–C single bond in a stable... 
ELECTRON-SPIN-RESONANCE | CALCULATIONS PREDICT | RING EXPANSION | CARBON | DFT | GROUND-STATE | SEARCH | BONDS | CHEMISTRY, ORGANIC
Journal Article
Mind & Language, ISSN 0268-1064, 06/2019, Volume 34, Issue 3, pp. 299 - 316
The idea that attention is necessary for consciousness (the “Necessity Thesis”) is frequently advocated by philosophers and psychologists alike. Experiments... 
change blindness | attention | inattentional blindness | consciousness | perception | FIXATION POSITION | VISION | SPATIAL ATTENTION | PSYCHOLOGY, EXPERIMENTAL | EYE-MOVEMENTS | LINGUISTICS | VISUAL-ATTENTION | SEE | FILLING-IN | GRAND ILLUSION | Analysis | Change blindness | Perceptions | Consciousness | Psychology | Philosophy | Attention
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 06/2015, Volume 17, Issue 26, pp. 16688 - 16691
C(CH sub(3)) sub(5) super(+), a pentacoordinate carbocation, was recently described as a "fleeting" molecule, that is, stable only at low temperatures. Herein... 
Deuterium | Stability | Life span | Physical chemistry | Tunneling | Instability | Carbon | Bonding
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 07/2015, Volume 17, Issue 26, pp. 16688 - 16691
C(CH3)(5)(+), a pentacoordinate carbocation, was recently described as a "fleeting'' molecule, that is, stable only at low temperatures. Herein it is shown... 
CYCLOBUTADIENE | CARBENES | AUTOMERIZATION | BONDS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TRANSITION-STATE THEORY
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 05/2014, Volume 16, Issue 17, pp. 7718 - 7727
The possibility of carbon atom tunneling at cryogenic temperatures for carbene-based ring expansion of adamantane analogues calls for a delicate balance of... 
REARRANGEMENT | CHEMICAL-REACTIONS | ELECTRON-SPIN-RESONANCE | 2-ADAMANTYLIDENE | RING EXPANSION | CARBON | GROUND-STATE | CRYOGENIC TEMPERATURES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PHOTOLYSIS | TRANSITION-STATE THEORY | Isotope effect | Barriers | Decay | Tunneling | Carbenes | Carbon | Cryogenic temperature | Curvature
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2015, Volume 11, Issue 7, pp. 3089 - 3095
The Yr pi bond shifting (automerization) by carbon tunneling of cydopropenyl anions was computationally analyzed by the small curvature tunneling methodology.... 
ORGANIC-PHOTOCHEMISTRY | CYCLOBUTADIENE | SYMMETRY NUMBERS | GROUND-STATE | CARBENES | AUTOMERIZATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | CHEMISTRY, PHYSICAL | TRIPLET AROMATICITY | LEVEL AB-INITIO | SINGLET
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 05/2017, Volume 56, Issue 21, pp. 5912 - 5915
Efficient and highly selective catalytic conditions for the aerobic autoxidation of methylarenes to benzaldehydes, based on N‐hydroxyphthalimide (NHPI) and... 
catalysis | solvent effects | aerobic oxidation | C−H activation | benzaldehydes | ACID | AUTOXIDATION | CHEMISTRY, MULTIDISCIPLINARY | EPOXIDATION | C-H activation | INHIBITION | FLUOROALCOHOLS | HYDROGEN-PEROXIDE | FLUORINATED ALCOHOLS | CO(OAC) | EFFICIENCY | MOLECULAR-OXYGEN | Oxidation-reduction reaction | Catalysis | Cobalt | Acetates | Oxidation | Selectivity | Benzaldehyde
Journal Article
Digestive Diseases and Sciences, ISSN 0163-2116, 8/2016, Volume 61, Issue 8, pp. 2160 - 2161
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1007/s10620-016-4232-0 
Biochemistry, general | Oncology | Medicine & Public Health | Hepatology | Gastroenterology | Transplant Surgery | WOMEN | RATES | INFLAMMATORY-BOWEL-DISEASE | CROHNS-DISEASE | ULCERATIVE-COLITIS | INFERTILITY | IN-VITRO FERTILIZATION | GASTROENTEROLOGY & HEPATOLOGY | POUCH-ANAL ANASTOMOSIS
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 01/2020, Volume 26, Issue 4, pp. 759 - 772
Journal Article
Mind & Language, ISSN 0268-1064, 11/2015, Volume 30, Issue 5, pp. 572 - 602
Common sense suggests that visual consciousness is essential to skilled motor action, but Andy Clark—inspired by Milner and Goodale's dual visual systems... 
CORTICAL REGIONS | PERCEPTION | LINGUISTICS | OPTIC ATAXIA | BRAIN-AREAS | VENTRAL STREAM | CONSCIOUSNESS | CORTEX | FACE RECOGNITION | FORM AGNOSIA | OBJECT SHAPE | PSYCHOLOGY, EXPERIMENTAL | visual representation | language | cognition | consciousness | psycholinguistics | motor behavior | Brain | Visual processing | Neurosciences | System theory
Journal Article
ISSN 1463-9076, 6/2015, Volume 17, Issue 26, pp. 16688 - 16691
C(CH 3 ) 5 + , a pentacoordinate carbocation, was recently described as a "fleeting" molecule, that is, stable only at low temperatures. Herein it is shown... 
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 07/2008, Volume 112, Issue 26, pp. 6032 - 6041
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 10/2013, Volume 34, Issue 27, pp. 2327 - 2344
Following up on an earlier preliminary communication (Kozuch and Martin, Phys. Chem. Chem. Phys. 2011, 13, 20104), we report here in detail on an extensive... 
thermochemical kinetics | dispersion | thermochemistry | density functional theory | double hybrid | QUARTIC FORCE-FIELD | AB-INITIO | CHEMISTRY, MULTIDISCIPLINARY | ATOMIZATION ENERGY | DENSITY FUNCTIONALS | VIBRATIONAL FREQUENCIES | CONSISTENT BASIS-SETS | ZETA VALENCE QUALITY | BENCHMARK CALCULATIONS | TRIPLET ENERGY SEPARATION
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 12/2016, Volume 120, Issue 47, pp. 9431 - 9445
Halogen bonds (XB) are no longer newcomers in the chemistry family. However, XB in hypervalent halogens has not been thoroughly studied. We provide a molecular... 
Journal Article