La fonctionnalité Article cité par… liste les citations d'un article. Ces citations proviennent de la base de données des articles de EDP Sciences, ainsi que des bases de données d'autres éditeurs participant au programme CrossRef Cited-by Linking Program. Vous pouvez définir une alerte courriel pour être prévenu de la parution d'un nouvel article citant " cet article (voir sur la page du résumé de l'article le menu à droite).
Karla Tersago, Joris Van Droogenbroeck, Christian Van Alsenoy, et al. Phys. Chem. Chem. Phys. 6(22) 5140 (2004) https://doi.org/10.1039/B404880F
N,N′‐Ethylenebis(pyridoxylideneiminato) and N,N′‐Ethylenebis(pyridoxylaminato): Synthesis, Characterization, Potentiometric, Spectroscopic, and DFT Studies of Their Vanadium(IV) and Vanadium(V) Complexes
Isabel Correia, Joāo Costa Pessoa, M. Teresa Duarte, Rui T. Henriques, M. Fátima M. Piedade, Luís F. Veiros, Tamás Jakusch, Tamás Kiss, Ágnes Dörnyei, M. Margarida C. A. Castro, Carlos F. G. C. Geraldes and Fernando Avecilla Chemistry – A European Journal 10(9) 2301 (2004) https://doi.org/10.1002/chem.200305317
Understanding Sterol–Membrane Interactions Part I: Hartree–Fock versus DFT Calculations of 13C and 1H NMR Isotropic Chemical Shifts of Sterols in Solution and Analysis of Hydrogen‐Bonding Effects
Synthesis and Characterization of Hypoelectronic Rhenaboranes. Analysis of the Geometric and Electronic Structures of Species Following Neither Borane nor Metal Cluster Electron-Counting Paradigms
Boris Le Guennic, Haijun Jiao, Samia Kahlal, Jean-Yves Saillard, Jean-François Halet, Sundargopal Ghosh, Maoyu Shang, Alicia M. Beatty, Arnold L. Rheingold and Thomas P. Fehlner Journal of the American Chemical Society 126(10) 3203 (2004) https://doi.org/10.1021/ja039770b
A Computational Foray into the Formation and Reactivity of Metallabenzenes
Mark A. Iron, André C. B. Lucassen, Hagai Cohen, Milko E. van der Boom and Jan M. L. Martin Journal of the American Chemical Society 126(37) 11699 (2004) https://doi.org/10.1021/ja047125e
Ab Initio NMR Spectra for Molecular Systems with a Thousand and More Atoms: A Linear‐Scaling Method
Induced magnetic fields in aromatic [n]-annulenes—interpretation of NICS tensor components
Clemence Corminboeuf, Thomas Heine, Gotthard Seifert, Paul von Ragué Schleyer and Jacques Weber Phys. Chem. Chem. Phys. 6(2) 273 (2004) https://doi.org/10.1039/B313383B
Localisation and reversal of paratropic ring currents in molecules with formal anti-aromatic electron counts
Remco W. A. Havenith, Jeroen J. Engelberts, Patrick W. Fowler, et al. Phys. Chem. Chem. Phys. 6(2) 289 (2004) https://doi.org/10.1039/B311255A
Experimental and Theoretical Studies of the Propargyl-Allenylindium System
Weishi Miao, Lung Wa Chung, Yun-Dong Wu and Tak Hang Chan Journal of the American Chemical Society 126(41) 13326 (2004) https://doi.org/10.1021/ja049241n
Predicting shielding constants in solution using gauge invariant atomic orbital theory and the effective fragment potential method
Mark A. Freitag, Brandon Hillman, Anubhav Agrawal and Mark S. Gordon The Journal of Chemical Physics 120(3) 1197 (2004) https://doi.org/10.1063/1.1626629
ADVENTURES OF QUANTUM CHEMISTRY IN THE REALM OF INORGANIC CHEMISTRY
Experimental and Theoretical Investigation of the 13C and 15N Chemical Shift Tensors in MelanostatinExploring the Chemical Shift Tensor as a Structural Probe
15N NMR Chemical Shift Tensors of Substituted Hexaazaisowurtzitanes: The Intermediates in the Synthesis of CL-20
Jacalyn S. Clawson, Karen L. Anderson, Ronald J. Pugmire and David M. Grant The Journal of Physical Chemistry A 108(14) 2638 (2004) https://doi.org/10.1021/jp0373999
Magnetism in Corrugated Carbon Nanotori: The Importance of Symmetry, Defects, and Negative Curvature
Fast semiempirical calculations for nuclear magnetic resonance chemical shifts: A divide-and-conquer approach
Bing Wang, Edward N. Brothers, Arjan van der Vaart and Kenneth M. Merz The Journal of Chemical Physics 120(24) 11392 (2004) https://doi.org/10.1063/1.1752877
Ipsocentric and allocentric methods of mapping induced current density
First principle calculations of 113Cd chemical shifts for proteins and model systems
Lars Hemmingsen, Lars Olsen, Jens Antony and Stephan P. A. Sauer JBIC Journal of Biological Inorganic Chemistry 9(5) 591 (2004) https://doi.org/10.1007/s00775-004-0553-0
A parity rule for ring currents in π-clamped monocycles
Alessandro Soncini, Patrick W. Fowler and Leonardus W. Jenneskens Phys. Chem. Chem. Phys. 6(21) 4921 (2004) https://doi.org/10.1039/B414024A
The origin of counter-rotating rim and hub currents in coronene
Solvent Effects on Rotatory Strength Tensors. 1. Theory and Application of the Combined Coupled Cluster/Dielectric Continuum Model
Jacob Kongsted, Thomas Bondo Pedersen, Anders Osted, Aage E. Hansen, Kurt V. Mikkelsen and Ove Christiansen The Journal of Physical Chemistry A 108(16) 3632 (2004) https://doi.org/10.1021/jp037836j
Conformational Effects on the Optical Rotation of Alanine and Proline
Magdalena Pecul, Kenneth Ruud, Antonio Rizzo and Trygve Helgaker The Journal of Physical Chemistry A 108(19) 4269 (2004) https://doi.org/10.1021/jp037663y
Magnetic Resonance Energy and Aromaticity of Polycyclic Aromatic Hydrocarbon Dianions/Dications
Perturbation of Conjugation in Allylic Lithium Compounds Due to Stereochemical Control of Internal Lithium Coordination: Crystallography, NMR, and Calculational Studies
Gideon Fraenkel, Albert Chow, Roland Fleischer and Hua Liu Journal of the American Chemical Society 126(12) 3983 (2004) https://doi.org/10.1021/ja030370y
Synthesis, experimental and theoretical NMR study of 2′-hydroxychalcones bearing a nitro substituent on their B ring
Les fluorures inorganiques, des matériaux modèles pour tester les méthodes de calcul de paramètres RMN (déplacement chimique et paramètres quadripolaires)
Theoretical Investigation of Superelectrophilic Fluorooxonium Dications FOH32+ and F2OH22+: Comparison with Parent H4O2+ Dication
V. Prakash Reddy, Ekkehard Sinn, George A. Olah, G. K. Surya Prakash and Golam Rasul The Journal of Physical Chemistry A 108(18) 4036 (2004) https://doi.org/10.1021/jp031212w
A valence bond study of the σ and π aromatic species Al42−
Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. II. Furo-furan Isomers
I. Garcı́a Cuesta, R. Soriano Jartı́n, A. Sánchez de Merás and P. Lazzeretti The Journal of Chemical Physics 120(14) 6542 (2004) https://doi.org/10.1063/1.1650326
Bis(iminophosphorano)methane Derivatives as Precursors of Unusual Ruthenium Carbene Complexes: A Synthetic and DFT Study
Victorio Cadierno, Josefina Díez, Joaquín García-Álvarez, José Gimeno, Maria José Calhorda and Luis F. Veiros Organometallics 23(10) 2421 (2004) https://doi.org/10.1021/om030658w
Theoretical study of peptide model dimers. Homo versus heterochiral complexes
Multiple hydrogen bonds and tautomerism in naphthyridine derivatives
Carmen Alvarez-Rua, Santiago García-Granda, Shyamaprosad Goswami, et al. New J. Chem. 28(6) 700 (2004) https://doi.org/10.1039/B315692C
The Cotton-Mouton effect of neon and argon: A benchmark study using highly correlated coupled cluster wave functions
Antonio Rizzo, Mihály Kállay, Jürgen Gauss, Filip Pawłowski, Poul Jørgensen and Christof Hättig The Journal of Chemical Physics 121(19) 9461 (2004) https://doi.org/10.1063/1.1805491
Ring currents in large [4n + 2]-annulenes
Alessandro Soncini, Patrick W. Fowler and Leonardus W. Jenneskens Phys. Chem. Chem. Phys. 6(2) 277 (2004) https://doi.org/10.1039/B311487B
Calculation of current densities using gauge-including atomic orbitals
Synthesis of Pyrazolyl‐2‐pyrazolines by Treatment of 3‐(3‐Aryl‐3‐oxopropenyl)chromen‐4‐ones with Hydrazine and Their Oxidation to Bis(pyrazoles)
Albert Lévai, Artur M. S. Silva, Diana C. G. A. Pinto, José A. S. Cavaleiro, Ibon Alkorta, José Elguero and József Jekö European Journal of Organic Chemistry 2004(22) 4672 (2004) https://doi.org/10.1002/ejoc.200400465
β-Pseudopeptide foldamers. The homo-oligomers of (4R)-(2-oxo-1,3-oxazolidin-4-yl)-acetic acid (D–Oxac)
Gianluigi Luppi, Roberta Galeazzi, Marco Garavelli, Fernando Formaggio and Claudia Tomasini Org. Biomol. Chem. 2(15) 2181 (2004) https://doi.org/10.1039/B405856A
Computational Interpretation of Vibrational Optical Activity: The ROA Spectra of (4S)‐4‐Methylisochromane and the (4S)‐Isomers of Galaxolide®
NMR Spectroscopic and quantum chemical characterization of the (E )− and (Z )− isomers of the penta‐1,3‐dienyl‐2‐cation
Hans‐Ullrich Siehl, Thomas Müller and Jürgen Gauss Journal of Physical Organic Chemistry 16(8) 577 (2003) https://doi.org/10.1002/poc.662
Synthesis and characterization of [W(NC4Me4)2Cl2] and [W(NC4Me4)2(CH3)2], the first azametallocene tungsten complexes with pyrrolyl ligands. Electronic structure and bonding of tungsten bispyrrolyl complexes
A theoretical study of (old and new) non‐classical carbocations derived from cyclic saturated hydrocarbons
Ibon Alkorta, José Luis M. Abboud, Esther Quintanilla and Juan Z. Dávalos Journal of Physical Organic Chemistry 16(8) 546 (2003) https://doi.org/10.1002/poc.630
Computational Medicinal Chemistry for Drug Discovery
The Structure of N1‐Hydroxylophine N3‐Oxide (=1‐Hydroxy‐2,4,5‐ triphenyl‐1H‐imidazole 3‐Oxide) in the Solid State
Ana Sánchez‐Migallón, Antonio de la Hoz, Concepción López, Rosa M. Claramunt, Lourdes Infantes, Sam Motherwell, Kenneth Shankland, Harriott Nowell, Ibon Alkorta and José Elguero Helvetica Chimica Acta 86(4) 1026 (2003) https://doi.org/10.1002/hlca.200390091
Stereoselective reductive amination of chiral trans-3-acetyl-4-alkylpyrrolidin-2-ones
Correlated and gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach
Andrea Ligabue, Stephan P. A. Sauer and Paolo Lazzeretti The Journal of Chemical Physics 118(15) 6830 (2003) https://doi.org/10.1063/1.1557918
How Do Ring Currents Affect 1H NMR Chemical Shifts?
Regio‐ and Diastereoselectivity in 1,3‐Dipolar Cycloaddition Reactions of 2‐Phenylisatogen and Its 3‐Phenylimino Derivative with Electron‐Deficient Alkenes
Paola Astolfi, Paolo Bruni, Lucedio Greci, Pierluigi Stipa, Lara Righi and Corrado Rizzoli European Journal of Organic Chemistry 2003(14) 2626 (2003) https://doi.org/10.1002/ejoc.200300016
Structures and Stabilities of B2H2n2+ Dications (n = 1−4)
Jacques F. Dias, Golam Rasul, Peter Rudolf Seidl, G. K. Surya Prakash and George A. Olah The Journal of Physical Chemistry A 107(39) 7981 (2003) https://doi.org/10.1021/jp0307405
Localized-density-matrix calculation of circular dichroism spectrum of optically active molecule
Stereoelectronic, Strain, and Medium Effects on the Protonation of Cubylamine, a Janus‐like Base
José‐Luis M. Abboud, Ilmar A. Koppel, Ibon Alkorta, Ernest W. Della, Paul Müller, Juan Z. Dávalos, Peeter Burk, Ivar Koppel, Viljar Pihl and Esther Quintanilla Angewandte Chemie International Edition 42(20) 2281 (2003) https://doi.org/10.1002/anie.200350993
Analysis of Aromatic Delocalization: Individual Molecular Orbital Contributions to Nucleus-Independent Chemical Shifts
Thomas Heine, Paul v. Ragué Schleyer, Clémence Corminboeuf, Gotthard Seifert, Roman Reviakine and Jacques Weber The Journal of Physical Chemistry A 107(33) 6470 (2003) https://doi.org/10.1021/jp035163z
Quantum cluster equilibrium theory treatment of hydrogen-bonded liquids: water, methanol and ethanol
Pseudopeptide Foldamers − The Homo‐Oligomers of Benzyl (4S,5R)‐5‐Methyl‐2‐oxo‐1,3‐oxazolidine‐4‐carboxylate
Claudia Tomasini, Valerio Trigari, Simone Lucarini, Fernando Bernardi, Marco Garavelli, Cristina Peggion, Fernando Formaggio and Claudio Toniolo European Journal of Organic Chemistry 2003(2) 259 (2003) https://doi.org/10.1002/ejoc.200390027
Complexes of Guanidinium Ion (NH2)3C+ with Super Lewis Acidic XH4+ (X = B and Al): Comparison with XH3 Complexes and Protonated and Methylated Guanidinium Dications1
On the Aromatic Character of the Heterocyclic Bases of DNA and RNA
Michał K. Cyrański, Mirosław Gilski, Mariusz Jaskólski and Tadeusz Marek Krygowski The Journal of Organic Chemistry 68(22) 8607 (2003) https://doi.org/10.1021/jo034760e
Theoretical determination of the magnetic properties of 2-pyrone and 4-pyrone, ando-benzoquinone andp-benzoquinone