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J. Grant Hill - Publications

Affiliations: 
School of Chemistry University of Glasgow, Glasgow, Scotland, United Kingdom 
 2014- University of Sheffield, Sheffield, England, United Kingdom 
Area:
Theoretical chemistry, computational chemistry
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34 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Hill JG. Diffuse basis functions for explicitly correlated calculations on the heavy p-block: aug-cc-pVnZ-PP-F12 sets for Ga-Kr, In-Xe, and Tl-Rn. The Journal of Chemical Physics. 160. PMID 38488075 DOI: 10.1063/5.0197210  0.325
2023 Nash HW, Shaw RA, Hill JG. Correlation consistent auxiliary basis sets in density fitting Hartree-Fock: The atoms sodium through argon revisited. Journal of Computational Chemistry. PMID 36636897 DOI: 10.1002/jcc.27069  0.311
2017 Hill JG, Peterson KA. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements. The Journal of Chemical Physics. 147: 244106. PMID 29289120 DOI: 10.1063/1.5010587  0.52
2017 Vasiliu M, Hill JG, Peterson KA, Dixon DA. Structures and Heats of Formation of Simple Alkaline Earth Metal Compounds II: Fluorides, Chlorides, Oxides, and Hydroxides for Ba, Sr, and Ra. The Journal of Physical Chemistry. A. PMID 29240428 DOI: 10.1021/acs.jpca.7b09056  0.508
2017 Sun Z, Moore KB, Hill JG, Peterson KA, Schaefer HF, Hoffmann R. Alkali Metal Trihalides: M+X3- Ion Pair or MX-X2 Complex? The Journal of Physical Chemistry. B. PMID 29232133 DOI: 10.1021/Acs.Jpcb.7B10005  0.452
2017 Shaw RA, Hill JG. Approaching the Hartree-Fock Limit Through the CABS Singles Correction and Auxiliary Basis Sets. Journal of Chemical Theory and Computation. PMID 28245126 DOI: 10.1021/acs.jctc.7b00140  0.323
2014 Hill JG, Peterson KA. Correlation consistent basis sets for explicitly correlated wavefunctions: pseudopotential-based basis sets for the post-d main group elements Ga-Rn. The Journal of Chemical Physics. 141: 094106. PMID 25194363 DOI: 10.1063/1.4893989  0.546
2013 Platts JA, Hill JG, Riley KE, Řezáč J, Hobza P. Basis Set Dependence of Interaction Energies Computed Using Composite Post-MP2 Methods. Journal of Chemical Theory and Computation. 9: 330-7. PMID 26589036 DOI: 10.1021/Ct300842D  0.61
2013 Bross DH, Hill JG, Werner HJ, Peterson KA. Explicitly correlated composite thermochemistry of transition metal species. The Journal of Chemical Physics. 139: 094302. PMID 24028112 DOI: 10.1063/1.4818725  0.725
2013 Hill JG. Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-Pd. Journal of Computational Chemistry. 34: 2168-77. PMID 23828233 DOI: 10.1002/jcc.23372  0.397
2013 Hill JG, Mitrushchenkov AO, Peterson KA. Ab initio ro-vibrational spectroscopy of the group 11 cyanides: CuCN, AgCN, and AuCN. The Journal of Chemical Physics. 138: 134314. PMID 23574234 DOI: 10.1063/1.4798638  0.539
2013 Hill JG, Hu X. Theoretical insights into the nature of halogen bonding in prereactive complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 3620-8. PMID 23417990 DOI: 10.1002/chem.201204312  0.313
2013 Platts JA, Hill JG, Riley KE, ?ezá? J, Hobza P. Basis set dependence of interaction energies computed using composite post-MP2 methods Journal of Chemical Theory and Computation. 9: 330-337. DOI: 10.1021/ct300842d  0.527
2012 Riley KE, Platts JA, ?ezá? J, Hobza P, Hill JG. Assessment of the performance of MP2 and MP2 variants for the treatment of noncovalent interactions Journal of Physical Chemistry A. 116: 4159-4169. PMID 22475190 DOI: 10.1021/Jp211997B  0.551
2012 Hill JG, Peterson KA. Explicitly correlated coupled cluster calculations for molecules containing group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements: Optimized complementary auxiliary basis sets for valence and core-valence basis sets Journal of Chemical Theory and Computation. 8: 518-526. DOI: 10.1021/Ct200856F  0.532
2011 Hill JG. Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: correlation consistent basis sets for the 5d elements Hf-Pt. The Journal of Chemical Physics. 135: 044105. PMID 21806088 DOI: 10.1063/1.3615062  0.362
2011 Feller D, Peterson KA, Hill JG. On the effectiveness of CCSD(T) complete basis set extrapolations for atomization energies. The Journal of Chemical Physics. 135: 044102. PMID 21806085 DOI: 10.1063/1.3613639  0.573
2011 Peterson KA, Krause C, Stoll H, Hill JG, Werner HJ. Application of explicitly correlated coupled-cluster methods to molecules containing post-3 d main group elements Molecular Physics. 109: 2607-2623. DOI: 10.1080/00268976.2011.624129  0.565
2010 Feller D, Peterson KA, Hill JG. Calibration study of the CCSD(T)-F12a/b methods for C2 and small hydrocarbons. The Journal of Chemical Physics. 133: 184102. PMID 21073208 DOI: 10.1063/1.3491809  0.568
2010 Hill JG, Peterson KA. Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core-valence basis sets for Li, Be, Na, and Mg. Physical Chemistry Chemical Physics : Pccp. 12: 10460-8. PMID 20603665 DOI: 10.1039/C0Cp00020E  0.575
2010 Hill JG, Mazumder S, Peterson KA. Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar. The Journal of Chemical Physics. 132: 054108. PMID 20136306 DOI: 10.1063/1.3308483  0.555
2010 Gkionis K, Hicks M, Robertazzi A, Hill JG, Platts JA. Platinum Complexes as Anti-Cancer Drugs: Modeling of Structure, Activation and Function Quantum Biochemistry. 723-742. DOI: 10.1002/9783527629213.ch26  0.393
2009 Hill JG, Platts JA. Auxiliary Basis Sets for Density-Fitted MP2 Calculations: Correlation-Consistent Basis Sets for the 4d Elements. Journal of Chemical Theory and Computation. 5: 500-505. PMID 26610217 DOI: 10.1021/ct8005584  0.582
2009 Hill JG, Peterson KA, Knizia G, Werner HJ. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets. The Journal of Chemical Physics. 131: 194105. PMID 19929044 DOI: 10.1063/1.3265857  0.554
2009 Gkionis K, Hill JG, Oldfield SP, Platts JA. Performance of Becke's half-and-half functional for non-covalent interactions: energetics, geometries and electron densities. Journal of Molecular Modeling. 15: 1051-60. PMID 19212783 DOI: 10.1007/s00894-009-0459-4  0.56
2008 Hill JG, Platts JA. Calculating interaction energies in transition metal complexes with local electron correlation methods. The Journal of Chemical Physics. 129: 134101. PMID 19045072 DOI: 10.1063/1.2982790  0.56
2008 Hill JG, Cooper DL, Karadakov PB. Spin-coupled description of aromaticity in the retro Diels-Alder reaction of norbornene. The Journal of Physical Chemistry. A. 112: 12823-8. PMID 18795763 DOI: 10.1021/Jp800969K  0.626
2008 Hill JG, Platts JA. Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Møller-Plesset perturbation theory. Physical Chemistry Chemical Physics : Pccp. 10: 2785-91. PMID 18464995 DOI: 10.1039/b718691f  0.58
2008 Gkionis K, Platts JA, Hill JG. Insights into DNA binding of ruthenium arene complexes: role of hydrogen bonding and pi stacking. Inorganic Chemistry. 47: 3893-902. PMID 18393492 DOI: 10.1021/ic702459h  0.513
2008 Hill JG, Platts JA. Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-zeta all-electron correlation consistent basis sets for the 3d elements Sc-Zn. The Journal of Chemical Physics. 128: 044104. PMID 18247927 DOI: 10.1063/1.2826348  0.59
2007 Hill JG, Platts JA. Spin-Component Scaling Methods for Weak and Stacking Interactions. Journal of Chemical Theory and Computation. 3: 80-5. PMID 26627154 DOI: 10.1021/ct6002737  0.526
2007 Karadakov PB, Hill JG, Cooper DL. The unusual electronic mechanism of the [1,5] hydrogen shift in (Z)-1,3-pentadiene predicted by modern valence bond theory. Faraday Discussions. 135: 285-97; discussion 3. PMID 17328434 DOI: 10.1039/B605100F  0.521
2006 Hill JG, Platts JA, Werner HJ. Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods. Physical Chemistry Chemical Physics : Pccp. 8: 4072-8. PMID 17028695 DOI: 10.1039/B608623C  0.607
2006 Hill JG, Cooper DL, Karadakov PB. Modern valence-bond-like representations of selected D6h "aromatic" rings. The Journal of Physical Chemistry. A. 110: 7913-7. PMID 16789780 DOI: 10.1021/Jp057458D  0.522
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