مقاله‌های دارای تعهدات انتشار عمومی - David Tewبیشتر بدانید
جای دیگری دردسترس نیست: ۳۰
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory
M Heckert, M Kállay, DP Tew, W Klopper, J Gauss
The Journal of chemical physics 125 (4), 2006
تعهدات: German Research Foundation
A diagonal orbital-invariant explicitly-correlated coupled-cluster method
DP Tew, W Klopper, C Hättig
Chemical Physics Letters 452 (4-6), 326-332, 2008
تعهدات: German Research Foundation
Basis set limit CCSD (T) harmonic vibrational frequencies
DP Tew, W Klopper, M Heckert, J Gauss
The Journal of Physical Chemistry A 111 (44), 11242-11248, 2007
تعهدات: German Research Foundation
Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence
A Köhn, GW Richings, DP Tew
The Journal of chemical physics 129 (20), 2008
تعهدات: German Research Foundation
A comparison of linear and nonlinear correlation factors for basis set limit Møller-Plesset second order binding energies and structures of He2, Be2, and Ne2
DP Tew, W Klopper
The Journal of chemical physics 125 (9), 2006
تعهدات: German Research Foundation
Accurate computational thermochemistry from explicitly correlated coupled-cluster theory
W Klopper, RA Bachorz, C Hättig, DP Tew
Theoretical Chemistry Accounts 126, 289-304, 2010
تعهدات: German Research Foundation
Second order coalescence conditions of molecular wave functions
DP Tew
The Journal of chemical physics 129 (1), 2008
تعهدات: German Research Foundation
Sub-meV accuracy in first-principles computations of the ionization potentials and electron affinities of the atoms H to Ne
W Klopper, RA Bachorz, DP Tew, C Hättig
Physical Review A—Atomic, Molecular, and Optical Physics 81 (2), 022503, 2010
تعهدات: German Research Foundation
Pair natural orbitals in explicitly correlated second‐order møller–plesset theory
DP Tew, C Hättig
International Journal of Quantum Chemistry 113 (3), 224-229, 2013
تعهدات: German Research Foundation
Ab Initio Vibrational Spectroscopy of cis- and trans-Formic Acid from a Global Potential Energy Surface
DP Tew, W Mizukami
The Journal of Physical Chemistry A 120 (49), 9815-9828, 2016
تعهدات: European Commission
A compact and accurate semi-global potential energy surface for malonaldehyde from constrained least squares regression
W Mizukami, S Habershon, DP Tew
The Journal of chemical physics 141 (14), 2014
تعهدات: European Commission
Towards the Hartree–Fock and coupled-cluster singles and doubles basis set limit: A study of various models that employ single excitations into a complementary auxiliary basis set
A Köhn, DP Tew
The Journal of chemical physics 132 (2), 2010
تعهدات: German Research Foundation
Changes in the Geometries of C2H2 and C2H4 on Coordination to CuCl Revealed by Broadband Rotational Spectroscopy and ab-Initio Calculations
SL Stephens, DM Bittner, VA Mikhailov, W Mizukami, DP Tew, NR Walker, ...
Inorganic chemistry 53 (19), 10722-10730, 2014
تعهدات: UK Engineering and Physical Sciences Research Council, European Commission
The Dynamics of the Reaction of FeO+ and H2: A Model for Inorganic Oxidation
S Essafi, DP Tew, JN Harvey
Angewandte Chemie International Edition 56 (21), 5790-5794, 2017
تعهدات: UK Engineering and Physical Sciences Research Council
Heat of formation of the HOSO2 radical from accurate quantum chemical calculations
W Klopper, DP Tew, N González-García, M Olzmann
The Journal of chemical physics 129 (11), 2008
تعهدات: German Research Foundation
The weak orthogonality functional in explicitly correlated pair theories
DP Tew, W Klopper, FR Manby
The Journal of chemical physics 127 (17), 2007
تعهدات: German Research Foundation
Geometry of an isolated dimer of imidazole characterised by rotational spectroscopy and ab initio calculations
JC Mullaney, DP Zaleski, DP Tew, NR Walker, AC Legon
ChemPhysChem 17 (8), 1154-1158, 2016
تعهدات: European Commission
Ab initio calculation of rovibrational states for non-degenerate double-well potentials: cis–trans isomerization of HOPO
S Erfort, M Tschöpe, G Rauhut, X Zeng, DP Tew
The Journal of Chemical Physics 152 (17), 2020
تعهدات: German Research Foundation
A monomeric complex of ammonia and cuprous chloride: H3N⋯ CuCl isolated and characterised by rotational spectroscopy and ab initio calculations
DM Bittner, DP Zaleski, SL Stephens, DP Tew, NR Walker, AC Legon
The Journal of Chemical Physics 142 (14), 2015
تعهدات: UK Engineering and Physical Sciences Research Council, European Commission
Low energy hydrogenation products of extended π systems CnH2x: A density functional theory search strategy, benchmarked against CCSD (T), and applied to C60
A Bihlmeier, DP Tew, W Klopper
The Journal of chemical physics 129 (11), 2008
تعهدات: German Research Foundation
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