J. Grant Hill - Publications

Affiliations: 
School of Chemistry University of Glasgow, Glasgow, Scotland, United Kingdom 
Area:
Theoretical chemistry, computational chemistry

45 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
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  0.96
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  0.96
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  0.96
2016 Anacker T, Hill JG, Friedrich J. Optimized Basis Sets for the Environment in the Domain-Specific Basis Set Approach of the Incremental Scheme. The Journal of Physical Chemistry. A. PMID 27002338 DOI: 10.1021/acs.jpca.6b01097  0.96
2015 Kritikou S, Hill JG. Auxiliary Basis Sets for Density Fitting in Explicitly Correlated Calculations: The Atoms H-Ar. Journal of Chemical Theory and Computation. 11: 5269-76. PMID 26574321 DOI: 10.1021/acs.jctc.5b00816  0.96
2015 Hill JG, Legon AC, Tew DP, Walker NR. Halogen bonding in the gas phase: a comparison of the iodine bond in B⋯ICl and B⋯ICF3 for simple Lewis Bases B. Topics in Current Chemistry. 358: 43-77. PMID 25467533 DOI: 10.1007/128_2014_574  0.96
2015 Hill JG, Legon AC. On the directionality and non-linearity of halogen and hydrogen bonds. Physical Chemistry Chemical Physics : Pccp. 17: 858-67. PMID 25141075 DOI: 10.1039/c4cp03376k  0.96
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  0.96
2014 Sovago I, Gutmann MJ, Hill JG, Senn HM, Thomas LH, Wilson CC, Farrugia LJ. Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole. Crystal Growth & Design. 14: 1227-1239. PMID 24672285 DOI: 10.1021/cg401757z  0.96
2014 Hill JG, Bucher G. (π*,σ*), (σ*,π*) and Rydberg triplet excited states of hydrogen peroxide and other molecules bearing two adjacent heteroatoms. The Journal of Physical Chemistry. A. 118: 2332-43. PMID 24592897 DOI: 10.1021/jp500766d  0.96
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  1
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
2013 Fei L, Xu Y, Chen Z, Yuan B, Wu X, Hill J, Lin Q, Deng S, Andersen P, Lu Y, Luo H. Preparation of porous SnO2 helical nanotubes and SnO2 sheets Materials Chemistry and Physics. 140: 249-254. DOI: 10.1016/j.matchemphys.2013.03.029  0.96
2013 Xu Y, Fei L, Fu E, Yuan B, Hill J, Chen Y, Deng S, Andersen P, Wang Y, Luo H. A general polymer-assisted solution approach to grow transition metal oxide nanostructures directly on nickel foam as anodes for Li-ion batteries Journal of Power Sources. 242: 604-609. DOI: 10.1016/j.jpowsour.2013.05.116 Short communication  0.96
2013 Hill JG. Gaussian basis sets for molecular applications International Journal of Quantum Chemistry. 113: 21-34. DOI: 10.1002/qua.24355  0.96
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  0.96
2012 Fei L, Reddy HK, Hill J, Lin Q, Yuan B, Xu Y, Dailey P, Deng S, Luo H. Preparation of mesoporous silica-supported palladium catalysts for biofuel upgrade Journal of Nanotechnology. DOI: 10.1155/2012/309093  0.96
2012 Fei L, Zhu L, Cheng X, Wang H, Baber SM, Hill J, Lin Q, Xu Y, Deng S, Luo H. Structure and magnetotransport properties of epitaxial nanocomposite La 0.67Ca 0.33MnO 3:SrTiO 3 thin films grown by a chemical solution approach Applied Physics Letters. 100. DOI: 10.1063/1.3688048  0.96
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  0.96
2011 Grant Hill J, Mitrushchenkov A, Yousaf KE, Peterson KA. Accurate ab initio ro-vibronic spectroscopy of the X̃2Π CCN radical using explicitly correlated methods. The Journal of Chemical Physics. 135: 144309. PMID 22010720 DOI: 10.1063/1.3647311  0.96
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  0.96
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  0.96
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  0.96
2011 Hill J, Lin Q, Luo H, Deng S, Lwoya B, Dunwell M. Synthesis of zeolites from an energy conserving route using seed directed crystallization 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 0.96
2011 Fei L, Hill J, Lin Q, Xu Y, Deng S, Luo H. Preparation of mesoporous silica-supported palladium catalyst for biofuel upgrade 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 0.96
2011 Xu Y, Lin Q, Fei L, Hill J, Deng S, Luo H. A facile way to fabricate MoO 3 /graphene composite anode for lithium ion battery 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  1
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  1
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  1
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  0.96
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  1
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  0.64
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  0.96
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  1
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