Year |
Citation |
Score |
2001 |
Dimur C, Pauzat F, Ellinger Y, Berthier G. Looking for the PC bond in space: HPCO and HPCS as possible tracers. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 57: 859-73. PMID 11345259 DOI: 10.1016/S1386-1425(00)00449-2 |
0.74 |
|
2000 |
Migirdicyan E, Parisel O, Berthier G. Aromatic biradicals and carbenes: High-resolution electronic spectra and their quantum-chemical interpretation Chemical Analysis. 156: 201-233. |
0.598 |
|
1993 |
Cassam-Chenaï P, Ellinger Y, Berthier G. Induced mapping in the n-electron space and a transformation of valence-bond structures to molecular-orbital functions. Physical Review. A. 48: 2746-2751. PMID 9909923 DOI: 10.1103/PhysRevA.48.2746 |
0.528 |
|
1993 |
Despres A, Lejeune V, Migirdicyan E, Admasu A, Platz MS, Berthier G, Parisel O, Flament JP, Baraldi I, Momicchioli F. Study of the electronic structure and spectra of diphenylcarbene conformers in their ground state and lower excited states Journal of Physical Chemistry. 97: 13358-13367. DOI: 10.1021/J100152A048 |
0.602 |
|
1993 |
Pauzat F, Ellinger Y, Berthier G, Gérin M, Viala Y. Theoretical study of a basic process in interstellar nitrogen chemistry: reaction of N with OH Chemical Physics. 174: 71-79. DOI: 10.1016/0301-0104(93)80052-B |
0.715 |
|
1993 |
Kozelka J, Savinelli R, Berthier G, Flament JP, Lavery R. Force field for platinum binding to adenine Journal of Computational Chemistry. 14: 45-53. DOI: 10.1002/Jcc.540140109 |
0.448 |
|
1984 |
Berthier G, Pauzat F, Yuanqi T. Quantum astrochemistry : Prospects and examples Journal of Molecular Structure: Theochem. 107: 39-48. DOI: 10.1016/0166-1280(84)80035-4 |
0.674 |
|
1983 |
Berthier G, Chekir S, Jaidane N, Pauzat F, Tao Y, Vermeulin P. Etudes theoriques de molecules interstellaires soufrees Journal of Molecular Structure: Theochem. 94: 327-341. DOI: 10.1016/0166-1280(83)80141-9 |
0.695 |
|
1978 |
Ellinger Y, Subra R, Berthier G. Theoretical analysis of long-range hyperfine interactions in bicyclic free radicals. Application conditions for the W and anti-W rules Journal of the American Chemical Society. 100: 4961-4963. DOI: 10.1021/Ja00484A006 |
0.511 |
|
1977 |
Lévy B, Berthier G. Relationship between orthogonalization and orbital localization procedures International Journal of Quantum Chemistry. 12: 579-590. DOI: 10.1002/qua.560120316 |
0.505 |
|
1975 |
Ellinger Y, Rassat A, Subra R, Berthier G. Ab initio study of the electronic structure and hyperfine coupling in simple hydrocarbon radicals. I. Test of the calculation method on methyl and vinyl The Journal of Chemical Physics. 62: 1-9. DOI: 10.1063/1.430262 |
0.551 |
|
1975 |
Ellinger Y, Subra R, Levy B, Millie P, Berthier G. Ab initio study of the electronic structure and hyperfine coupling properties in simple hydrocarbon radicals. II. Short-range and long-range interactions in alkyl free radicals The Journal of Chemical Physics. 62: 10-29. DOI: 10.1063/1.430252 |
0.677 |
|
1975 |
Barbier C, Berthier G, Levy B, Millie P, Noël P. Étude théorique des constantes de couplage nucléaires 2J dans une chaine saturée par une méthode de double perturbation Journal De Chimie Physique. 72: 859-862. DOI: 10.1051/Jcp/1975720859 |
0.566 |
|
1975 |
Ellinger Y, Subra R, Rassat A, Douady J, Berthier G. Nonempirical calculations on the conformation and hyperfine structure of the nitroxide and ketyl groups. Consequences of out-of-plane bending on hyperfine interactions Journal of the American Chemical Society. 97: 476-479. DOI: 10.1021/Ja00836A002 |
0.514 |
|
1975 |
Ellinger Y, Subra R, Berthier G, Tomasi J. Theoretical treatment of electrophilic reactivity in nitroxides and ketyl radicals through ab-initio molecular electrostatic potentials Journal of Physical Chemistry. 79: 2440-2443. DOI: 10.1021/J100589A020 |
0.532 |
|
1973 |
Ellinger Y, Rassat A, Subra R, Berthier G. Theoretical analysis of long-range hyperfine interactions in aliphatic free radicals. Origin of the W and anti-W rules [10] Journal of the American Chemical Society. 95: 2372-2373. DOI: 10.1021/Ja00788A050 |
0.516 |
|
1973 |
Meunier A, Lévy B, Berthier G. Electron correlation and basis effects in the theory of hydrogen bonds: The mixed dimer ammonia-water | Corrélation électronique et effets de base dans l'étude de la liaison hydrogène: le dimère mixte ammoniac-eau Theoretica Chimica Acta. 29: 49-55. DOI: 10.1007/Bf00528166 |
0.581 |
|
1973 |
ELLINGER Y, RASSAT A, SUBRA R, BERTHIER G. ChemInform Abstract: THEORETISCHE ANALYSE DER ′LONG-RANGE′-HYPERFEINWECHSELWIRKUNGEN BEI ALIPHATISCHEN FREIEN RADIKALEN, URSPRUNG DER W- UND ANTI-W-REGELN Chemischer Informationsdienst. 4: no-no. DOI: 10.1002/Chin.197324065 |
0.485 |
|
1971 |
Barbier C, Gagnaire D, Berthier G, Levy B. Double perturbation calculation of the Jgem nuclear spin-spin coupling constant of methane Journal of Magnetic Resonance (1969). 5: 11-22. DOI: 10.1016/0022-2364(71)90058-8 |
0.547 |
|
1971 |
Ellinger Y, Rassat A, Subra R, Berthier G, Millie P. Interplay of direct and indirect coupling contributions in proton hyperfine splitting constants of alkyl radicals Chemical Physics Letters. 11: 362-364. DOI: 10.1016/0009-2614(71)80508-0 |
0.528 |
|
1971 |
KUTZELNIGG W, DEL RE G, BERTHIER G. ChemInform Abstract: SIGMA- UND PI-ELEKTRONEN IN DER THEORETISCHEN ORGANISCHEN CHEMIE Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197145169 |
0.585 |
|
1970 |
Berthier G, Lévy B, Paoloni L. The electronic structure of N-methyl-3pyridone and its representation Theoretica Chimica Acta. 16: 316-318. DOI: 10.1007/BF00529433 |
0.537 |
|
1969 |
Douady J, Ellinger Y, Rassat A, Subra R, Berthier G. Nitroxydes XXXII: Analyse théorique des effets de conformation sur la structure hyperfine des spectres R.P.E Molecular Physics. 17: 217-237. DOI: 10.1080/00268976900100981 |
0.561 |
|
1969 |
Berthier G, David DJ, Veillard A. Ab initio calculations on a typical SN2 Reaction - Electronic structure of methyl fluoride and of the transition state (FCH3F)- | Calculs non empiriques sur une réaction SN2 typique - Structure électronique du fluorure de méthyle et de l'état de transition (FCH3F)- Theoretica Chimica Acta. 14: 329-338. DOI: 10.1007/BF00527114 |
0.534 |
|
1968 |
Kutzelnigg W, Del Re G, Berthier G. Correlation coefficients for electronic wave functions Physical Review. 172: 49-59. DOI: 10.1103/Physrev.172.49 |
0.586 |
|
1968 |
Ellinger Y, Rassat A, Subra R, Berthier G. Structure électronique et spectres de resonance paramagnétique électronique des radicaux vinyle et cyclopropyle Theoretica Chimica Acta. 10: 289-300. DOI: 10.1007/Bf00526492 |
0.557 |
|
1966 |
Lamotte B, Berthier G. Spectres de résonance magnétique, niveaux d’énergie et structure électronique de radicaux=cations oxygénés et soufrés d’hétérocycles aromatiques Journal De Chimie Physique. 63: 369-378. DOI: 10.1051/Jcp/1966630369 |
0.339 |
|
1966 |
Berthier G, Del Re G, Veillard A. Some remarks on approximation formulae used for molecular calculations Il Nuovo Cimento B Series 10. 44: 315-325. DOI: 10.1007/BF02710810 |
0.487 |
|
1966 |
Veillard A, Berthier G. π-electron approximation in pyridine and related compounds Theoretica Chimica Acta. 4: 347-351. DOI: 10.1007/BF01129649 |
0.463 |
|
1965 |
Berthier G, Lemaire H, Rassat A, Veillard A. Interprétation structurale des spectres hyperfins des radicaux libres et méthodes de chimie quantique - Exemple des radicaux nitroxydes Theoretica Chimica Acta. 3: 213-230. DOI: 10.1007/Bf00527717 |
0.517 |
|
1964 |
Berthier G, Veillard A, Del Re G. Proton splitting constants and hybridisation in aromatic free radicals Physics Letters. 8: 313-314. |
0.488 |
|
1961 |
SUARD M, BERTHIER G, PULLMAN B. [On the electronic states of proteins]. Biochimica Et Biophysica Acta. 52: 254-65. PMID 13918075 DOI: 10.1016/0006-3002(61)90675-8 |
0.618 |
|
1961 |
VEILLARD A, PULLMAN B, BERTHIER G. [Theoretical research on the diamagnetic anisotropy of conjugated molecules of biological interest]. Comptes Rendus Hebdomadaires Des SéAnces De L'AcadéMie Des Sciences. 252: 2321-2. PMID 13780596 |
0.66 |
|
1961 |
Spanjaard C, Berthier G. N° 3. — Structure électronique des complexes fer-porphyrine Journal De Chimie Physique. 58: 169-180. DOI: 10.1051/Jcp/1961580169 |
0.339 |
|
1960 |
Pullman B, Spanjaard C, Berthier G. FEATURES OF THE ELECTRONIC STRUCTURE OF THE IRON-PORPHYRIN COMPLEXES WITH SPECIAL REFERENCE TO THE OXIDO-REDUCTIVE PROPERTIES OF CYTOCHROMES. Proceedings of the National Academy of Sciences of the United States of America. 46: 1011-20. PMID 16590707 DOI: 10.1073/Pnas.46.8.1011 |
0.602 |
|
1958 |
Sender M, Berthier G. Recherches théoriques sur les composés oxygénés Journal De Chimie Physique. 55: 384-392. DOI: 10.1051/Jcp/1958550384 |
0.314 |
|
1955 |
Pullman B, Berthier G. Le pouvoir de conjugaison des carbones aromatiques et l’effet bathochrome des méthyles Journal De Chimie Physique. 52: 114-118. DOI: 10.1051/Jcp/1955520114 |
0.624 |
|
1954 |
Berthier G. Calcul des probabilités de transition relatives aux spectres électroniques des hydrocarbures non saturés Journal De Chimie Physique. 51: 137-138. DOI: 10.1051/Jcp/1954510137 |
0.331 |
|
1953 |
Berthier G, Pullman B, Baudet J. Recherches théoriques sur les benzazulènes Journal De Chimie Physique. 50: 209-214. DOI: 10.1051/Jcp/1953500209 |
0.314 |
|
1953 |
Berthier G. Calcul de certaines intégrales utiles pour l'étude théorique des hydrocarbures aromatiques Journal of Computers. 50: 194-194. DOI: 10.1051/Jcp/1953500194 |
0.309 |
|
1953 |
Mayot M, Berthier G, Pullman B. Compléments sur le calcul du diamagnétisme des composés aromatiques Journal De Chimie Physique. 50: 176-182. DOI: 10.1051/Jcp/1953500176 |
0.352 |
|
1953 |
Mayot M, Berthier G, Pullman B. Sur le calcul des charges électriques dans les hydrocarbures non alternants Journal De Chimie Physique. 50: 170-175. DOI: 10.1051/Jcp/1953500170 |
0.33 |
|
1952 |
Berthier G, Mayot M, Pullman A, Pullman B. Calcul quantique de l'anisotropie diamagnétique des molécules organiques. III. Hydrocarbures aromatiques complexes Journal De Physique Et Le Radium. 13: 15-20. DOI: 10.1051/Jphysrad:0195200130101500 |
0.349 |
|
1952 |
Berthier G, Pullman B, Pontis J. Recherches théoriques sur les constantes de force et les fréquences de vibration du groupement carbonyle dans les molécules organiques conjuguées Journal De Chimie Physique. 49: 367-376. DOI: 10.1051/Jcp/1952490367 |
0.635 |
|
1951 |
Berthier G, Mayot M, Pullman B. Calcul quantique de l'anisotropie diamagnétique des molécules organiques II. - Principaux groupes d'hydrocarbures aromatiques Journal De Physique Et Le Radium. 12: 717-723. DOI: 10.1051/Jphysrad:01951001207071700 |
0.344 |
|
1951 |
Mayot M, Berthier G, Pullman B. Calcul quantique de l'anisotropie diamagnétique des molécules organiques - I. La méthode Journal De Physique Et Le Radium. 12: 652-658. DOI: 10.1051/Jphysrad:01951001206065200 |
0.328 |
|
1950 |
PULLMAN A, BERTHIER G, PULLMAN B. [Energetic characteristics of carcinogenic hydrocarbons]. Acta - Unio Internationalis Contra Cancrum. 7: 140-8. PMID 14789598 |
0.555 |
|
1950 |
Pullman B, Mayot M, Berthier G. The occurrence of hypsochromic shifts on alkyl substitution: Structure and color of methylated derivatives of azulene The Journal of Chemical Physics. 18: 257-260. DOI: 10.1063/1.1747616 |
0.318 |
|
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