A conceptual DFT study of hydrazino peptides: Assessment of the nucleophilicity of the nitrogen atoms by means of the dual descriptor Δf(r)

Alchemy 2000 Version 1.00 for Windows:  A Review

article

An Evaluation of the MM+ Force Field

article published in 1998

Bienvenue dans Wikipédia, le cours de STS que VOUS pouvez améliorer

DFT and ab initio potential energy scan and hydrogen bond analysis of Nα-substituted hydrazino acetamides: Characterization of the “hydrazinoturn” hydrogen bonding pattern

DFT, ab initio, NMR, and NBO analyses of Nα-substituted hydrazino acetamides: Experimental vs theoretical values

Dynamic behavior of a perfunctionalized β-cyclodextrin as probed by NMR and molecular modeling

Epistemic issues in computational reproducibility: software as the elephant in the room

scientific article published in 2021

Ground-State Properties of Nucleic Acid Constituents Studied by Density Functional Calculations. 3. Role of Sugar Puckering and Base Orientation on the Energetics and Geometry of 2‘-Deoxyribonucleosides and Ribonucleosides

article by Alexandre Hocquet et al published May 2000 in Journal of Physical Chemistry

Guanine tetrads interacting with metal ions. An AIM topological analysis of the electronic densityElectronic Supplementary Information (ESI) available: Geometric data, topologic data at the BCP and integrated properties of the hydrogen atom of every

Influence of the gelator structure and solvent on the organisation and chirality of self-assembling fibrillar networks

Interaction of sodium and potassium ions with sandwiched cytosine-, guanine-, thymine-, and uracil-base tetrads

scientific article published in March 2005

Intramolecular hydrogen bonding in 2′-deoxyribonucleosides: an AIM topological study of the electronic density

Intramolecular hydrogen bonding in ribonucleosides: an AIM topological study of the electronic densityElectronic supplementary information (ESI) available: Integrated properties of atomic basins, radii characterizing hydrogen bond interactions, and p

Intramolecular interactions along the reaction path of keto–enol tautomerism: Fukui functions as local softnesses and charges as local hardnesses

L-nucleotides and 8-methylguanine of d(C1m8G2C3G4C5LG6LC7G8C9G10)2 act cooperatively to promote a left-handed helix under physiological salt conditions

scientific article

Magnetic properties of dinuclear copper(II) complexes with a N6 pyridazine-derived ligand *

article

Mailing list archives as useful primary sources for historians: looking for flame wars

article published in 2018

N′-(3-Amino-1H-isoindol-1-ylidene)-R-carbohydrazides and Their Amide-Type Isomerism

Open Science in Times of Coronavirus: Introducing the Concept of Real-Time Publication

scholarly article published on Substantia in 2020

Stereodynamics of Nitrogen Chiral Centers in aza-β3-Cyclodipeptides

Structures of (1) N-(2-pyridyl)-, (2) N-(3-pyridyl)- and (3) N-(4-pyridyl)-N'-(4-chlorophenyl)urea

The peculiar role of cytosine in nucleoside conformational behaviour: Hydrogen bond donor capacity of nucleic bases

The “hydrazinoturn” hydrogen bonding network in hydrazinopeptides and aza-β3-peptides as probed by an AIM topological analysis of the electronic density

Wikipédia au prisme de l’épistémologie sociale et des études des sciences

scholarly article by Pierre Willaime & Alexandre Hocquet published 2015 in Cahiers philosophiques

Wikipédia en tant que forum : une analyse de réseaux sociaux pour l’ethnographie de la production d’articles

article

Wikipédia, objet de médiation et de transmission des savoirs

Wikipédia, objet de médiation et de transmission des savoirs ⬇️

Wikipédia, objet scientifique non identifié ⬇️

“Only the Initiates Will Have the Secrets Revealed”: Computational Chemists and the Openness of Scientific Software

“We were here before the Web and hype…”: a brief history of and tribute to the Computational Chemistry List

scientific article published on 18 December 2018