Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex.

[1]  O. Christiansen,et al.  Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F−(H2O) complex , 2011 .

[2]  J. Bowman,et al.  Quantum vibrational analysis and infrared spectra of microhydrated sodium ions using an ab initio potential. , 2011, The Journal of chemical physics.

[3]  J. Bowman,et al.  Quantum vibrational analysis of hydrated ions using an ab initio potential. , 2010, The journal of physical chemistry. A.

[4]  B. Braams,et al.  Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes , 2010 .

[5]  Joel M. Bowman,et al.  Permutationally invariant potential energy surfaces in high dimensionality , 2009 .

[6]  Pavel Jungwirth,et al.  Ion-specific interactions between halides and basic amino acids in water. , 2009, The journal of physical chemistry. A.

[7]  Mark A. Johnson,et al.  Vibrationally induced proton transfer in F- (H2O) and F- (D2O). , 2008, The journal of physical chemistry. A.

[8]  T. Carrington,et al.  Variational quantum approaches for computing vibrational energies of polyatomic molecules , 2008 .

[9]  Mark A. Johnson,et al.  Prying apart a water molecule with anionic H-bonding: a comparative spectroscopic study of the X-.H2O (X = OH, O, F, Cl, and Br) binary complexes in the 600-3800 cm(-1) region. , 2006, The journal of physical chemistry. A.

[10]  B. Braams,et al.  Ab initio potential energy and dipole moment surfaces of (H2O)2. , 2006, The journal of physical chemistry. A.

[11]  K. D. Collins,et al.  Ions from the Hofmeister series and osmolytes: effects on proteins in solution and in the crystallization process. , 2004, Methods.

[12]  C. Zhan,et al.  Hydration of the Fluoride Anion: Structures and Absolute Hydration Free Energy from First-Principles Electronic Structure Calculations , 2004 .

[13]  Mark A. Johnson,et al.  Molecular aspects of halide ion hydration: the cluster approach. , 2003, Annual review of physical chemistry.

[14]  S. Xantheas,et al.  Anharmonic Vibrational Spectroscopy of the F-(H2O)n Complexes, n = 1, 2 , 2003 .

[15]  Han Myoung Lee,et al.  Comparative ab initio study of the structures, energetics and spectra of X−⋅(H2O)n=1–4 [X=F, Cl, Br, I] clusters , 2000 .

[16]  Joel M. Bowman,et al.  Vibrational self-consistent field method for many-mode systems: A new approach and application to the vibrations of CO adsorbed on Cu(100) , 1997 .

[17]  T. Dunning,et al.  Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions , 1992 .

[18]  T. H. Dunning Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen , 1989 .

[19]  H. Schaefer,et al.  Infrared spectrum of F.hivin..cntdot.H2O , 1988 .

[20]  Joel M. Bowman,et al.  Self‐consistent field energies and wavefunctions for coupled oscillators , 1978 .

[21]  R. Saykally,et al.  Velocity Modulation Infrared Laser Spectroscopy of Molecular Ions , 1984 .