Far-infrared VRT spectroscopy of the water dimer: Characterization of the 20 μm out-of-plane librational vibration
Cole, William T S, Fellers, Ray S, Viant, Mark R, Leforestier, Claude, Saykally, Richard J
Published in The Journal of chemical physics (21.10.2015)
Published in The Journal of chemical physics (21.10.2015)
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Journal Article
Water Dimers in the Atmosphere III: Equilibrium Constant from a Flexible Potential
Scribano, Yohann, Goldman, Nir, Saykally, R. J, Leforestier, Claude
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.04.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.04.2006)
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Journal Article
A ‘first principles’ potential energy surface for liquid water from VRT spectroscopy of water clusters
Goldman, Nir, Leforestier, Claude, Saykally, R. J.
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (15.02.2005)
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (15.02.2005)
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Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Babin, Volodymyr, Leforestier, Claude, Paesani, Francesco
Published in Journal of chemical theory and computation (10.12.2013)
Published in Journal of chemical theory and computation (10.12.2013)
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Journal Article
Complete characterization of the water dimer vibrational ground state and testing the VRT(ASP-W)III, SAPT-5st, and VRT(MCY-5f) surfaces
KEUTSCH, FRANK N., GOLDMAN, NIR, HARKER, HEATHER A., LEFORESTIER, CLAUDE, SAYKALLY, RICHARD J.
Published in Molecular physics (10.12.2003)
Published in Molecular physics (10.12.2003)
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Spectra of water dimer from a new ab initio potential with flexible monomers
Leforestier, Claude, Szalewicz, Krzysztof, van der Avoird, Ad
Published in The Journal of chemical physics (07.07.2012)
Published in The Journal of chemical physics (07.07.2012)
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Towards the complete understanding of water by a first-principles computational approach
Szalewicz, Krzysztof, Leforestier, Claude, van der Avoird, Ad
Published in Chemical physics letters (06.11.2009)
Published in Chemical physics letters (06.11.2009)
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Journal Article
Ab Initio Water Pair Potential with Flexible Monomers
Jankowski, Piotr, Murdachaew, Garold, Bukowski, Robert, Akin-Ojo, Omololu, Leforestier, Claude, Szalewicz, Krzysztof
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.03.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.03.2015)
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Journal Article
First principles potential for the acetylene dimer and refinement by fitting to experiments
Leforestier, Claude, Tekin, Adem, Jansen, Georg, Herman, Michel
Published in The Journal of chemical physics (21.12.2011)
Published in The Journal of chemical physics (21.12.2011)
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Observation of the Low‐Frequency Spectrum of the Water Dimer as a Sensitive Test of the Water Dimer Potential and Dipole Moment Surfaces
Schwan, Raffael, Qu, Chen, Mani, Devendra, Pal, Nitish, van der Meer, Lex, Redlich, Britta, Leforestier, Claude, Bowman, Joel M., Schwaab, Gerhard, Havenith, Martina
Published in Angewandte Chemie International Edition (09.09.2019)
Published in Angewandte Chemie International Edition (09.09.2019)
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Erratum: Development of a “First-Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Babin, Volodymyr, Leforestier, Claude, Paesani, Francesco
Published in Journal of chemical theory and computation (12.08.2014)
Published in Journal of chemical theory and computation (12.08.2014)
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Journal Article
Erratum: Development of a “First-Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Babin, Volodymyr, Leforestier, Claude, Paesani, Francesco
Published in Journal of chemical theory and computation (13.05.2014)
Published in Journal of chemical theory and computation (13.05.2014)
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Journal Article
Vibration-rotation-tunneling states of the benzene dimer: an ab initio study
VAN DER AVOIRD, Ad, PODESZWA, Rafał, SZALEWICZ, Krzysztof, LEFORESTIER, Claude, VAN HARREVELT, Rob, BUNKER, P. R, SCHNELL, Melanie, VON HELDEN, Gert, MEIJER, Gerard
Published in Physical chemistry chemical physics : PCCP (01.08.2010)
Published in Physical chemistry chemical physics : PCCP (01.08.2010)
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Vibration−Rotation−Tunneling Levels of the Water Dimer from an ab Initio Potential Surface with Flexible Monomers
Leforestier, Claude, van Harrevelt, Rob, van der Avoird, Ad
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.11.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.11.2009)
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