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An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations
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Molpro: a general-purpose quantum chemistry program package: Molpro
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July 2011 |
The Nature of the Chemical Bond. ii. the One-Electron bond and the Three-Electron bond
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September 1931 |
Accurate Analytical He-He van der Waals Potential Based on Perturbation Theory
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February 1995 |
Successive capture and coagulation of atoms and molecules to small clusters in large liquid helium clusters
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May 1995 |
CH Stretching Excitation in the Early Barrier F + CHD3 Reaction Inhibits CH Bond Cleavage
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July 2009 |
Density of states and evaporation rate of helium clusters
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September 1990 |
Density of superfluid helium droplets
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August 1998 |
Coupled cluster theory for high spin, open shell reference wave functions
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October 1993 |
Charge transfer within He clusters
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November 1996 |
Entrance channel X–HF (X = Cl, Br and I) complexes studied by high-resolution infrared laser spectroscopy in helium nanodroplets
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January 2005 |
Vibrational energies for NH3 based on high level ab initio potential energy surfaces
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December 2002 |
A new scattering deflection method for determining and selecting the sizes of large liquid clusters of 4He
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April 1993 |
Helium nanodroplet isolation rovibrational spectroscopy: Methods and recent results
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January 2001 |
Enhancement of bimolecular reactivity by a pre-reaction van der Waals complex: the case of F + H2O → HF + HO
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January 2013 |
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
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May 1992 |
van der Waals Interactions in the Cl + HD Reaction
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November 1999 |
Study of NH Stretching Vibrations in Small Ammonia Clusters by Infrared Spectroscopy in He Droplets and ab Initio Calculations
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May 2007 |
Thermochemistry Is Not a Lower Bound to the Activation Energy of Endothermic Reactions: A Kinetic Study of the Gas-Phase Reaction of Atomic Chlorine with Ammonia †
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June 2006 |
Ab initio study of reactions between halogen atoms and various fuel molecules by Gaussian-2 theory
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December 2000 |
CH Stretching Excitation Steers the F Atom to the CD Bond in the F + CHD 3 Reaction
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December 2009 |
Three-electron bond
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May 1977 |
Rates of H+CF3Br and Cl+NH3
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January 1977 |
Systematics of pure and doped clusters
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Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories
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September 1994 |
Reaction-Path Dynamics Calculations of the Cl + NH 3 Hydrogen Abstraction Reaction: The Role of the Intermediate Complexes
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April 2010 |
Infrared Spectra in the 3 μm Region of Ethane and Ethane Clusters in Helium Droplets
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October 2013 |
Infrared Laser Spectroscopy of the L-Shaped Cl–HCl Complex Formed in Superfluid 4 He Nanodroplets
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July 2015 |
A Theoretical Study of Chlorine Atom and Methyl Radical Addition to Nitrogen Bases: Why Do Cl Atoms Form Two-Center−Three-Electron Bonds Whereas CH 3 Radicals Form Two-Center−Two-Electron Bonds?
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January 1996 |
Rotational Dynamics of the Methyl Radical in Superfluid 4 He Nanodroplets
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December 2012 |
Quantum solvation and molecular rotations in superfluid helium clusters
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October 2000 |
Communication: Covalent nature of X⋯H 2 O (X = F, Cl, and Br) interactions
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April 2013 |
Molecular orientation in superfluid liquid helium droplets: high resolution infrared spectroscopy as a probe of solvent–solute interactions
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January 1999 |
Spectra of NH3 in He droplets in the 3μm range
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August 2005 |
Theoretical investigation of rotationally inelastic collisions of the methyl radical with helium
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August 2011 |
Stark Spectroscopy of Polar Molecules Solvated in Liquid Helium Droplets
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May 1999 |
Dipole Moment of the HOOO Radical: Resolution of a Structural Enigma
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October 2013 |
Anomalies in the reactions of helium(1+) with sulfur hexafluoride embedded in large helium-4 clusters
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March 1993 |
Rotationally Resolved Spectroscopy of S in Liquid Helium Clusters: A Molecular Probe of Cluster Temperature
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August 1995 |
Dissociation Energies of and
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November 1971 |
σ*-Radicals R 3 N — hal: electron paramagnetic resonance studies of the radiolysis of alkylammonium halides
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January 1991 |
Infrared rovibrational spectroscopy of OH–C 2 H 2 in 4 He nanodroplets: Parity splitting due to partially quenched electronic angular momentum
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April 2015 |
Dipole Moments of Molecules Solvated in Helium Nanodroplets
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April 2003 |
Superfluid Helium Droplets: A Uniquely Cold Nanomatrix for Molecules and Molecular Complexes
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May 2004 |
The barrier to inversion of ammonia
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March 2003 |
Computational Studies on the Kinetics and Mechanisms for NH 3 Reactions with ClO x ( x = 0−4) Radicals
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February 2007 |
What can we learn from two-center three-electron bonding with the topological analysis of ELF?
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January 2007 |
Infrared spectroscopy of helium nanodroplets: novel methods for physics and chemistry
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January 2006 |
Automation of an “Aculight” continuous-wave optical parametric oscillator
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January 2013 |
Equilibrium inversion barrier of NH 3 from extrapolated coupled-cluster pair energies : Equilibrium Inversion Barrier of NH
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July 2001 |
Structures and stabilities of singly charged three-electron hemibonded systems and their hydrogen-bonded isomers
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July 1988 |