Revealing charge-transfer effects in gas-phase water chemistry.
暂无分享,去创建一个
Fernando Pirani | David Cappelletti | Leonardo Belpassi | Francesco Tarantelli | F. Pirani | D. Cappelletti | L. Belpassi | F. Tarantelli | Enrico Ronca | Enrico Ronca
[1] Philip Ball,et al. Water as an Active Constituent in Cell Biology , 2008 .
[2] A. Stone,et al. Charge-transfer in Symmetry-Adapted Perturbation Theory , 2009 .
[3] R. S. Mulliken. Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I , 1955 .
[4] G. A. Jeffrey,et al. An Introduction to Hydrogen Bonding , 1997 .
[5] L. Roncaratti,et al. A molecular beam scattering study of the weakly bound complexes of water and hydrogen sulphide with the main components of air , 2010 .
[6] R. Bader,et al. A quantum theory of molecular structure and its applications , 1991 .
[7] P. Metrangolo,et al. Comprar Halogen Bonding · Fundamentals and Applications | Metrangolo, P. | 9783540743293 | Springer , 2008 .
[8] Fernando Pirani,et al. Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations. , 2008, Physical chemistry chemical physics : PCCP.
[9] Dudley R. Herschbach,et al. Long-range configuration interaction of ionic and covalent states , 1974 .
[10] Fernando Pirani,et al. Experimental benchmarks and phenomenology of interatomic forces: open-shell and electronic anisotropy effects , 2006 .
[11] Fernando Pirani,et al. Generalized correlations in terms of polarizability for van der Waals interaction potential parameter calculations , 1991 .
[12] L. Roncaratti,et al. Molecular-beam study of the ammonia-noble gas systems: characterization of the isotropic interaction and insights into the nature of the intermolecular potential. , 2011, The Journal of chemical physics.
[13] Anthony C Legon,et al. The halogen bond: an interim perspective. , 2010, Physical chemistry chemical physics : PCCP.
[14] L. Roncaratti,et al. Charge-transfer energy in the water-hydrogen molecular aggregate revealed by molecular-beam scattering experiments, charge displacement analysis, and ab initio calculations. , 2010, Journal of the American Chemical Society.
[15] Werner Kutzelnigg,et al. The Physical Mechanism of the Chemical Bond , 1973 .
[16] L. Curtiss,et al. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint , 1988 .
[17] F. Pirani,et al. Experimental and theoretical evidence of charge transfer in weakly bound complexes of water. , 2009, Physical chemistry chemical physics : PCCP.
[18] Michael W. Schmidt,et al. Physical understanding through variational reasoning: electron sharing and covalent bonding. , 2009, The journal of physical chemistry. A.
[19] Robert S. Mulliken,et al. Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies , 1955 .
[20] J. Magee. The Mechanism of Reactions Involving Excited Electronic States The Gaseous Reactions of the Alkali Metals and Halogens , 1940 .
[21] F. Pirani,et al. Nature and Stability of Weak Halogen Bonds in the Gas Phase: Molecular Beam Scattering Experiments and Ab Initio Charge Displacement Calculations , 2011 .
[22] David J. Nesbitt,et al. Definition of the hydrogen bond (IUPAC Recommendations 2011) , 2011 .
[23] Rustam Z. Khaliullin,et al. Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals. , 2008, The Journal of chemical physics.
[24] S. Hammes-Schiffer,et al. Introduction: Proton-coupled electron transfer. , 2010, Chemical reviews.
[25] Fernando Pirani,et al. Coupling by charge transfer: role in bond stabilization for open-shell systems and ionic molecules and in harpooning and proton attachment processes , 2000 .
[26] F. Pirani,et al. Charge-displacement analysis of the interaction in the ammonia-noble gas complexes. , 2011, The journal of physical chemistry. A.
[27] L. Roncaratti,et al. Molecular-beam scattering experiments and theoretical calculations probing charge transfer in weakly bound complexes of water. , 2009, The journal of physical chemistry. A.
[28] Robert Moszynski,et al. Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes. , 1995 .
[29] Lucas Visscher,et al. The chemical bond between Au(I) and the noble gases. Comparative study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by density functional and coupled cluster methods. , 2008, Journal of the American Chemical Society.
[30] F. Pirani,et al. On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules , 2012 .