S. T. Howard

发表

Experimental and theoretical study of the charge density in 2‐methyl‐4‐nitroaniline

Michael B. Hursthouse, P. R. Mallinson, M. Hursthouse, 1992 .

Polarizabilities of alkylsiloxanate and methoxysiloxanate anions

R. Hayes, M. Hursthouse, S. T. Howard, 1998 .

An ab initio study of diarsacyclobutadienes

Cameron Jones, S. T. Howard, 1998 .

Description of covalent bond orders using the charge density topology

Olivier Lamarche, S. T. Howard, S. Howard, 2003 .

Bond energy, aromatic stabilization energy and strain in IPR fullerenes.

S. T. Howard, M. Cyrański, M. Chodkiewicz, 2004, Chemical communications.

Experimental and theoretical determination of electronic properties in l-dopa

M. Hursthouse, C. Lehmann, S. T. Howard, 1995 .

Periodic Hartree–Fock calculations on crystalline HCN

J. Platts, S. T. Howard, 1996 .

Ab initio studies of proton sponges II: 1,6-diazobicyclo[4.4.4]-tetradecane

J. Platts, R. Alder, S. T. Howard, 1995 .

Ab initio studies of proton sponges : 1,8-bis(dimethylamino)naphthalene

J. Platts, K. Woźniak, S. T. Howard, 1994 .

Relationship between Basicity, Strain, and Intramolecular Hydrogen-Bond Energy in Proton Sponges

S. T. Howard, 2000 .

Anion binding by multidentate Lewis acids: a DFT study

S. Aldridge, S. T. Howard, I. A. Fallis, 2001 .

The synthesis and coordination chemistry of a tris-8-aminoquinoline tripodal ligand.

James C. Knight, B. Kariuki, K. Malik, 2009, Dalton transactions.

Synthesis and properties of a chiral bis-tetrahydroisoquinoline proton spongeDedicated to Professor Harry Heaney on the occasion of his 70th birthday.

M. Elliott, S. T. Howard, E. Williams, 2002 .

A ‘triylide carbocycle’: cyclononane-1,4,7-triammonium triylide

S. T. Howard, I. A. Fallis, 1998 .

Intramolecular CH…Ccarbene hydrogen bonds and competing interactions in monoprotonated tripodal carbenes

Siân T. Howard, Colin D. Abernethy, S. T. Howard, 2004, J. Comput. Chem..

Ab Initio Studies of Proton Sponges (V): 1,4,7,10-Tetraaza-tricyclo[5,5,2,2(4,10)]hexa- decane, a Tricyclic Proton Sponge.

S. T. Howard, I. A. Fallis, 1998, The Journal of organic chemistry.

Relationships between basicity, structure, chemical shift and the charge distribution in resonance-stabilized iminoaminesElectronic supplementary information (ESI) available: energies and N⋯N distances in geometry-optimised iminoamine bases. See http://www.rsc.org/suppdata/p2/b2/b200899h/

J. Platts, M. Coogan, S. T. Howard, 2002 .

Polarizabilities, atoms-in-molecules polarizabilities and bonding in (CN)-, (SCN)-, (OCN)- and (ClO)-

S. T. Howard, 1995 .

Ab initio and DFT computer studies of complexes of quaternary nitrogen cations: trimethylammonium, tetramethylammonium, trimethylethylammonium, choline and acetylcholine with hydroxide, fluoride and chloride anionsElectronic supplementary information (ESI) available: Assignment and symmetry of harmo

W. O. George, S. T. Howard, A. Davies, 2003 .

Ab Initio Studies of Proton Sponges. 4. Calculating the Strain Energy

J. Platts, S. T. Howard, 1998 .

Ab initio Studies of Proton Sponges. Part 4. Calculating the Strain Energy

J. Platts, S. T. Howard, 2010 .

Angular group-induced bond alternation II. The magnitude and the nature of the effect and its application to polynuclear benzenoid systems

S. T. Howard, Marcin Wisiorowski, T. Krygowski, 1998 .

A new orbital-based model for the analysis of experimental molecular charge densities: an application to (Z)-N-methyl-C-phenylnitrone.

Mark P Waller, David E Hibbs, J. Huke, 2005, Physical chemistry chemical physics : PCCP.

Benzenoid Hydrocarbon Aromaticity in Terms of Charge Density Descriptors

Siân T. Howard, T. M. Krygowski, S. T. Howard, 1997 .

Weak intermolecular interactions between nitrogen and oxygen atoms

J. Platts, K. Woźniak, S. T. Howard, 1995 .

RELATIONSHIP BETWEEN PHOSPHINE PROTON AFFINITIES AND LONE PAIR DENSITY PROPERTIES

J. Platts, S. T. Howard, 1995 .

Experimental and theoretical charge density distribution in a host-guest system: synthetic terephthaloyl receptor complexed to adipic acid.

J. Platts, P. Groundwater, D. Hibbs, 2012, The journal of physical chemistry. A.

Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate.

D. Hibbs, J. Overgaard, S. T. Howard, 2005, Organic & biomolecular chemistry.

ELECTRONIC STRUCTURE OF ARYL- AND ALKYLPHOSPHINES

J. Foreman, P. G. Edwards, S. T. Howard, 1996 .

Polarizability anisotropies of cyano-substituted azulene, biphenyl, 2,2'- bipyridyl and naphthalene

D. Willock, S. T. Howard, I. A. Fallis, 1999 .

Conformations, energies, and intramolecular hydrogen bonds in dicarboxylic acids: Implications for the design of synthetic dicarboxylic acid receptors

David E. Hibbs, Thanh Ha Nguyen, Siân T. Howard, 2005, J. Comput. Chem..

Insights into bonding and hydrogen bond directionality in thioacetamide from the experimental charge distribution

D. Hibbs, T. Hambley, M. Hursthouse, 2002 .

On the barrier to molecular axial rotation in crystalline benzene

J. Platts, K. Woźniak, S. T. Howard, 1995 .