Conformers and non-covalent interactions studied by laser spectroscopies and Ab initio calculations

Conformers and non-covalent interactions studied by laser spectroscopies and Ab initio calculations

Bibliographic Details
Main Author:	Ullrich, Susanne
Published:	University of York 2001
Subjects:	541 Molecular clusters
Online Access:	http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.247030

Similar Items

Ab initio calculation of molecular surfaces
by: Su, Ming-Der
Published: (1991)

The AB initio calculation of potential energy surfaces
by: Sexton, G. J.
Published: (1983)

Ab initio calculations of NMR and ESR coupling constants
by: Overill, R. E.
Published: (1976)

Ab initio calculations of rates and product state distributions of gas phase reactions
by: Cole, John Philip
Published: (2003)

Ab initio modelling of defects in oxides
by: Gilbert, Christopher Andrew
Published: (2009)

Ab initio Calculations of Optical Rotation
by: Tam, Mary Christina
Published: (2014)

Ab initio calculation of molecular properties
by: Somasundram, K.
Published: (1986)

Atomistic simulation and ab initio studies of polar solids
by: Hines, Robert Ian
Published: (1997)

Mass selective laser photoionisation spectroscopy of copper dimer
by: Cartwright, Peter C.
Published: (1989)

Ab initio atomistic thermodynamics of the (009) surface of strontium titanate
by: Liborio, L. M.
Published: (2006)

Exchange-correlation functionals from ab initio potentials
by: Menconi, Giuseppina
Published: (2002)

Ab initio quantum mechanical approaches in solid state
by: Samaniego Reyna, Jose Cuauhtemoc
Published: (2002)

The application of ab initio structural optimisation to contemporary problems in biochemistry
by: Scanlan, M. J.
Published: (1985)

Some applications of ab initio molecular electronic structure theory
by: Watts, J. D.
Published: (1985)

Ab-initio studies of SrTiO3(001) surface reconstructions
by: Ringham, Benjamin David
Published: (2007)

An ab-initio study of Electron Transfer in Ultrcold Molecular Species : The Harpoon Mechanism
by: Wright, K. W. A.
Published: (2010)

AB Initio Studies of Lambda - Type Doubling and Related Properties of Diatomic Hydrides
by: Hammersley, R. E.
Published: (1976)

Accurate mechanistic studies of large catalytic systems : accessing high-level ab initio methods
by: Pennifold, Robert Colin Richard
Published: (2016)

Hydrated Sodium Ion Clusters [Na+(H2O)n (n = 1–6)]: An ab initio Study on Structures and Non-covalent Interaction
by: Pengju Wang, et al.
Published: (2019-09-01)

The theoretical investigation of photochemical reactions : ab initio trajectories with surface top
by: Vreveh, Thom
Published: (1998)

The use of periodic ab initio methods in the determination of NMR quadrupole parameters
by: Johnson, Clive
Published: (2002)

The application of ab initio theoretical methods to some problems of chemical reactivity
by: Field, M. J.
Published: (1985)

Ab initio computational studies
by: Wetzel, Thiele Lee
Published: (2008)

Ab initio κβαντοχημική μελέτη των διαμοριακών επιδράσεων μορίων ιδιαζούσης σημασίας για τις περιβαλλοντικές επιστήμες
by: Χασκόπουλος, Αναστάσιος
Published: (2010)

High resolution laser and infrared spectroscopy and ab initio calculations for the study of intermolecular hydrogen bonding
by: Spencer, Claire Louise
Published: (2013)

Investigations Of Electron States Of Molecular Complexes By UV Photoelectron And Electron Energy Loss Spectroscopies And Ab-initio MO Calculations
by: Ananthavel, S P
Published: (2013)

Ab-initio study of x-ray spectroscopy of molecular ions
by: Puglisi, Alessandra
Published: (2017)

Ab initio structure determination from X-ray powder diffraction data
by: Tremayne, Maryjane
Published: (1995)

A spectroscopic and ab initio study of the effects of electronic change on solvation of small gas-phase molecular clusters
by: Mac Mahon, Ewan
Published: (2006)

Investigating the electronic states of BaOH by high-resolution laser spectroscopy and ab initio calculation
by: Tandy, Jonathan David
Published: (2011)

Non covalent assembly of coordination superstructures
by: Khlobystov, Andrei N.
Published: (2002)

Au55, a stable glassy cluster: results of ab initio calculations
by: Dieter Vollath, et al.
Published: (2017-10-01)

Electronic structure of molecules : studies by photoelectron spectroscopy and ab initio calculations
by: Simpson, Isobel
Published: (1980)

Conformational analysis studies in NMR spectroscopy
by: Smith, Timothy Andrew David
Published: (1997)

Insight into complex systems in heterogeneous catalysis : ab initio study of solid supported metal clusters and the effects of oxygen doping on catalytic activity
by: Li, Xianlong
Published: (2017)

Ab initio calculations of molecular structure and properties using the spin-coupled wavefunction
by: Hyams, Peter Alan
Published: (1989)

Fractionnement isotopique du zinc à l'équilibre par calcul ab initio
by: Ducher, Manoj
Published: (2017)

Ab initio calculation of H interactions with defects in fcc metals : crack tip dislocations and vacancies
by: Wang, Yu
Published: (2014)

Structure and dynamics of metal clusters
by: Penman, James I.
Published: (1992)

Covalent anion of Li(HF) 3- system. An ab initio study
by: J. Lu, et al.
Published: (2018-09-01)