STUDY OF INTERACTION ABILITIES USING AN ENERGY PARTITIONING SCHEME IN SOME WATER CLUSTERS

[1]  J. Loveday,et al.  High density amorphous ices: disordered water towards close packing. , 2004, The Journal of chemical physics.

[2]  E. Tfirst,et al.  An ab initio program for the treatment of related systems transferability of correlation energy terms of weakly interacting molecules , 2004 .

[3]  O. Kapuy,et al.  Analysis of weakly bound structures: Hydrogen bond and the electron density in a water dimer , 2003 .

[4]  R. Lavrich,et al.  Effect of solvent on molecular conformation: Microwave spectra and structures of 2-aminoethanol van der Waals complexes , 2003 .

[5]  J. Bergès,et al.  Comparison of two ways to decompose intermolecular interactions for hydrogen-bonded dimer systems , 2003 .

[6]  O. Tishchenko,et al.  Key properties of monohalogen substituted phenols: interpretation in terms of the electron localization function , 2002 .

[7]  M. Nguyen,et al.  Hydrogen Bonding between Phenol and Acetonitrile , 2002 .

[8]  Jacopo Tomasi,et al.  An Integrated Effective Fragment—Polarizable Continuum Approach to Solvation: Theory and Application to Glycine , 2002 .

[9]  M. Parrinello,et al.  Compton scattering and the character of the hydrogen bond in ice Ih , 2001 .

[10]  I. Mayer,et al.  Overlap repulsion with Löwdin's pairing theorem* , 2001 .

[11]  E. Kryachko,et al.  Theoretical study of some lower-lying water hexamer clusters , 2000 .

[12]  E. D. Isaacs,et al.  Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement , 1999 .

[13]  J. Malrieu,et al.  ON THE PERTURBATIVE ESTIMATES OF THE CORRELATION ENERGY FROM LOCALIZED ORBITALS IN PERIODIC SYSTEMS , 1998 .

[14]  E. Tfirst,et al.  A study of weakly interacting systems in localized representation, including the many-body effect , 1998 .

[15]  Hans-Joachim Werner,et al.  Local treatment of electron correlation in coupled cluster theory , 1996 .

[16]  C. Kozmutza,et al.  Correlation energies in the interaction energy of molecules. The water dimer , 1994 .

[17]  C. Kozmutza,et al.  Localized orbitals for the description of molecular interaction , 1990 .

[18]  E. E. Schneider,et al.  PARAMAGNETIC RESONANCE OF X-RAYED TEFLON , 1955 .

[19]  W. Schneider.  Properties of the Hydrogen Bond. The Role of Lone Pair Electrons , 1955 .