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A periodic table for anomeric centres, this time with quantified interactions.

Monday, August 8th, 2016

Tags: Anomer, Anomeric effect, Atomic orbital, Carbohydrate chemistry, Carbohydrates, Chemical bond, chemical bonding, Chemistry, Hydrogen bond, interaction energy, Interesting chemistry, Lone pair, Physical organic chemistry, Quantum chemistry
Posted in Uncategorised | No Comments »

A periodic table for anomeric centres.

Saturday, August 6th, 2016

Tags: Acetals, Alkane stereochemistry, Anomer, Anomeric effect, Atomic orbital, Carbohydrate chemistry, Carbohydrates, Chemical bond, Chemistry, interaction energy, Interesting chemistry, Lone pair, Physical organic chemistry, Stereochemistry
Posted in crystal_structure_mining | No Comments »

Stereoelectronic effects galore: bis(trifluoromethyl)trioxide.

Thursday, August 4th, 2016

Tags: chemical bonding, Interesting chemistry, Sigma bond, Stereoelectronic effect, X-ray
Posted in crystal_structure_mining | No Comments »

An example of an extreme gauche effect: FSSF.

Saturday, September 21st, 2013

Tags: ELF, Interesting chemistry, Transition state
Posted in reaction mechanism | 2 Comments »

The gauche effect: seeking evidence by a survey of crystal structures.

Friday, January 4th, 2013

Tags: basic search, Cambridge, CF 3, conformational analysis, gauche, Interesting chemistry, metal, search takes, similar, Tutorial material
Posted in crystal_structure_mining | 8 Comments »

Spotting the unexpected. The trifluoromeric effect in the hydration of the carbonyl group.

Friday, March 9th, 2012

Tags: anomeric effects, ELF, free energy difference, interaction energy, Interesting chemistry, NBO, O Lp, Tutorial material
Posted in Uncategorised | 2 Comments »

Checking a conclusion we made in 1987: Tetrahedral intermediates formed by nitrogen and oxygen attack of aromatic hydroxylamines on acetyl cyanide

Saturday, June 11th, 2022

Tags: Interesting chemistry
Posted in reaction mechanism | No Comments »

A computational mechanism for the aqueous hydrolysis of a ketal to a ketone and alcohol.

Thursday, April 1st, 2021

Posted in reaction mechanism | 1 Comment »

Deltamethrin – a polymorphed insecticide.

Wednesday, March 24th, 2021

Tags: Interesting chemistry
Posted in Uncategorised | 1 Comment »

Fascinating stereoelectronic control in Metaldehyde and Chloral.

Tuesday, June 9th, 2020

Tags: Interesting chemistry
Posted in crystal_structure_mining | 3 Comments »

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Henry Rzepa's Blog

Search Results

A periodic table for anomeric centres, this time with quantified interactions.

A periodic table for anomeric centres.

Stereoelectronic effects galore: bis(trifluoromethyl)trioxide.

An example of an extreme gauche effect: FSSF.

The gauche effect: seeking evidence by a survey of crystal structures.

Spotting the unexpected. The trifluoromeric effect in the hydration of the carbonyl group.

Checking a conclusion we made in 1987: Tetrahedral intermediates formed by nitrogen and oxygen attack of aromatic hydroxylamines on acetyl cyanide

A computational mechanism for the aqueous hydrolysis of a ketal to a ketone and alcohol.

Deltamethrin – a polymorphed insecticide.

Fascinating stereoelectronic control in Metaldehyde and Chloral.

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