carlo adamo
机构: ENSCP - Chimie Paristech
每年引用次数
引用次数
引用: 176,306
H-指数: 116
I10-指数 : 486
出版物: 745
Proprietà elettroniche di macrocicli azotati. Porfirina ed emiporfirazina
Nota di Carlo Adamo , Mario Bossa , Elena Cervone , Paolo Nota
Rend. Fis. Acc. Lincei 2 ( 1) 15 -33
3
1991
Electronic properties of N-containing macrocycles. Porphyrin and hemiporphyrazine
Nota di Carlo Adamo , Mario Bossa , Elena Cervone , Paolo Nota
Rendiconti Lincei 2 15 -33
2
1991
Structural and Dynamical Features of Hydrogen Bonds from Conventional and Hybrid Density Functional Methods
Carlo ADAMO , Vincenzo BARONE
WORLD SCIENTIFIC 115 -164
2
1997
Effects of Electrical Boundary Conditions on the Structure and Stability of Domains in Multiferroic BiFeO3 Thin Films
CT Nelson , Y Zhang , CM Folkman , CB Eom
2010
A new implementation of an accurate self-interaction-corrected correlation energy functional based on an electron gas with a gap
JULIEN TOULOUSE , ANDREAS SAVIN , CARLO ADAMO
Evaluation de l'explosibilité des substances chimiques : des approches expérimentales classiques à la prédiction par la chimie quantique et les méthodes statistiques QSPR
Patricia Rotureau , Guy Marlair , Carlo Adamo , Christian Michot
Actualite Chimique ( 337) 51 -58
2010
Study of the peroxidation mechanism of diethyl ether (DEE)
Patricia Rotureau , M. Alzerreca , S. Di Tommaso , Wassila Benaissa
13. International Symposium on Loss Prevention and Safety Promotion in the Process Industry 327 -333
1
2010
Communication: Rationale for a new class of double-hybrid approximations in density-functional theory
Kamal Sharkas , Carlo Adamo , Julien Toulouse , Eric Brémond
Journal of Chemical Physics 135 ( 10) 101102 -101102
110
2011
Development of a new QSPR based tool to predict explosibility properties of chemical substances within the framework of REACH and GHS
Patricia Rotureau , Guillaume Fayet , Laurent Joubert , Carlo Adamo
13. International Symposium on Loss Prevention and Safety Promotion in the Process Industry 387 -390
2010
Quantitative structure-property relationship studies for predicting explosibility of nitroaromatic compounds
Patricia Rotureau , Carlo Adamo , Guillaume Fayet , Laurent Joubert
35. International Pyrotechnics Seminar (IPS 2008) 669 -676
2008
Films minces de La0.7Sr0.3MnO3 /SrTiO3 déposés sur substrat de silicium : Etude des propriétés magnétiques statiques et dynamiques
Mohamed Belmeguenai , Sylvana Mercone , Carlo Adamo , Thierry Chauveau
Colloque Louis Néel
2010
Prediction of the physico-chemical properties of nitroaromatic compounds using QSPR models
Patricia Rotureau , Guillaume Fayet , Carlo Adamo
14. Seminar on New Trends in Research of Energetic Materials (NTREM) 616 -622
2011
Prediction of physico-chemical properties in the context of the French PREDIMOL project
C. Nieto-Draghi , Patricia Rotureau , P. Ungerer , Vinca Prana
15. International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences (QSAR 2012)
1
2012
A mechanistic and kinetic study of the DEE oxidation
B. Sirjean , Patricia Rotureau , R. Fournet , Stefania Di Tommaso
7. International conference on chemical kinetics
2011
A mechanistic and experimental study of the diethyl ether oxidation
Patricia Rotureau , Peggy Gruez , Wassila Benaissa , Stefania Di Tommaso
AIChE Spring Meeting 2012 & 8. Global Congress on Process Safety (GCPS)
2012
Predicting explosibility properties of chemical substances from a combined DFT-QSPR approach
Patricia Rotureau , Guillaume Fayet , Laurent Joubert , Carlo Adamo
13. International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09)
1
2009
Development of a QSPR method for the prediction of chemicals explosibility
Patricia Rotureau , Carlo Adamo , Guillaume Fayet , Laurent Joubert
ACS National Meeting
1
2008
Role of Computational Variables on the Performances of COSMO-SAC Model: A Combined Theoretical and Experimental Investigation
Olivier Baudouin , Alain Valtz , Céline Houriez , Carlo Adamo
Industrial & Engineering Chemistry Research 60 ( 5) 2314 -2325
2021
Assessing challenging intra‐ and inter‐molecular charge‐transfer excitations energies with double‐hybrid density functionals
Giovanni Scalmani , Ángel José Pérez‐Jiménez , Alistar Ottochian , Carlo Adamo
Journal of Computational Chemistry 42 ( 14) 970 -981
2021
Beyond Chemical Accuracy for Alkane Thermochemistry: The DHthermo Approach.
Carlo Adamo , Carlo Adamo , Eric Brémond , Juan Carlos Sancho-García
Journal of Organic Chemistry 86 ( 8) 5538 -5545
2021