I. Hamilton

发表

Application of wavelet transforms to experimental spectra : Smoothing, denoising, and data set compression

R. Bonner, V. J. B. and, I. Hamilton, 1997 .

Generalized discrete variable approximation in quantum mechanics

J. Light, I. Hamilton, J. Lill, 1985 .

On distributed Gaussian bases for simple model multidimensional vibrational problems

J. Light, I. Hamilton, 1986 .

Convergence of the many-body expansion of interaction potentials: From van der Waals to covalent and metallic systems

Peter Schwerdtfeger, Matthias Lein, James J.P. Stewart, 2007 .

(Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature

L. Ghiringhelli, I. Hamilton, J. L. D. Da Silva, 2018, The journal of physical chemistry letters.

Ab initio vibrational levels for HO2 and vibrational splittings for hydrogen atom transfer

Christopher E. Dateo, I. Hamilton, V. Barclay, 1994 .

Inclusion of rotation in a Nosé equation approach to the thermal dissociation of diatomics

I. Hamilton, Li Liu, 1991 .

Complexes of small neutral gold clusters and hydrogen sulphide: A theoretical study

I. Hamilton, G. P. Li, 2006 .

The complex of HF2− and H2O: A theoretical study

I. Hamilton, G. P. Li, B. Reinhart, 2001 .

Theoretical study of Fermi resonance in the vibrational spectrum of HO2

I. Hamilton, V. Barclay, 1995 .

A minimally dynamic approach to unimolecular decay: CCH and coupled Morse dynamics

P. Brumer, I. Hamilton, 1985 .

The Rydberg states of FH2

I. Hamilton, James S. Wright, I. Petsalakis, 1988 .

Theoretical investigation involving electronic and vibrational calculations of the 2 2A1(3p)→1 2B2(3p) and the 3 2A1(4s)→1 2B2(3p) transitions in FH2 and FD2

I. Hamilton, James S. Wright, I. Petsalakis, 1988 .

A series of intrinsically chiral gold nanocage structures.

I. Hamilton, X. J. Liu, X. J. Liu, 2017, Nanoscale.

Helical gold nanorods as chiral recognition nanostructures: a relativistic density functional theory study.

I. Hamilton, Xiao-Jing Liu, 2014, Journal of the American Chemical Society.

Pulsed corona discharge for oxidation of gaseous elemental mercury - article no. 251503

W. Namkung, M. Cho, I. Hamilton, 2008 .

Formation of chlorinated species through reaction of SO2 with NaClO2 powder and their role in the oxidation of NO and Hg0

I. Hamilton, Youngchul Byun, X. Tu, 2014, Environmental Science and Pollution Research.

Thermodynamics of dimethylarsinic acid and arsenate interactions with hydrated iron-(oxyhydr)oxide clusters: DFT calculations.

I. Hamilton, Hind A. Al-Abadleh, Adrian Adamescu, 2011, Environmental science & technology.

Complexes of cationic coinage metal clusters Mn+ (M=Cu, Ag, Au; n=1–4) and H2S: a theoretical study

I. Hamilton, 2004 .

Density functional theory calculations on the complexation of p-arsanilic acid with hydrated iron oxide clusters: structures, reaction energies, and transition states.

I. Hamilton, Hind A. Al-Abadleh, Adrian Adamescu, 2014, The journal of physical chemistry. A.

Insights into the surface complexation of dimethylarsinic acid on iron (oxyhydr)oxides from ATR-FTIR studies and quantum chemical calculations.

I. Hamilton, W. Mitchell, Hind A. Al-Abadleh, 2010, Environmental science & technology.

Experimental and theoretical study on activation of the C-H bond in pyridine by [M(m)]- (M = Cu, Ag, Au, m = 1-3).

I. Hamilton, Keli Han, Xiao-Jing Liu, 2010, Physical chemistry chemical physics : PCCP.

Geometries and vibrational frequencies for calcium and strontium radical salts of H, F, Cl, Br, I, OH, SH, CN, NC, CCH, NNN, NCO, NCS, NH2, CH3, OCH3, SCH3, HCOO, CH3COO, HCONH and HCONCH3

I. Hamilton, Wai-To Chan, 1998 .

Ab initio calculations on the ground and excited states of BeOH and MgOH

I. Hamilton, I. Petsalakis, G. Theodorakopoulos, 1999 .

Mechanisms for the ozonolysis of ethene and propene: Reliability of quantum chemical predictions

I. Hamilton, Wai-To Chan, 2003 .

Dimers of alkaline earth metal halide radicals, (MX)2 (M=Be, Mg, Ca; X=F, Cl): A theoretical study

I. Hamilton, G. P. Li, 2001 .

Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals

I. Hamilton, L. Site, R. A. Mosna, 2006, physics/0609148.

Variational approach to dequantization

I. Hamilton, L. Site, R. A. Mosna, 2005, quant-ph/0511068.

Quantum-classical correspondence via a deformed kinetic operator

I. Hamilton, L. Site, R. A. Mosna, 2005, quant-ph/0504124.

Influence of gas components on the oxidation of elemental mercury by positive pulsed corona discharge

M. Cho, W. Namkung, I. Hamilton, 2008 .

Iron doped gold cluster nanomagnets: ab initio determination of barriers for demagnetization

I. Hamilton, C. Ehlert, 2019, Nanoscale advances.

Au 21 cage structures and their magic number tri‐cations

I. Hamilton, C. Ehlert, Xiaojing Liu, 2020 .

Relativistic-consistent electron densities of the coinage metal clusters M2, M4, M4(2-), and M4Na2 (M = Cu, Ag, Au): a QTAIM study.

I. Hamilton, K. Lemke, S. Sadjadi, 2011, The journal of physical chemistry. A.

Potential energy surface for large‐amplitude motion and vibrational spacings for FH+2

I. Hamilton, James S. Wright, I. Petsalakis, 1990 .

Potential energy determination by inverse perturbation analysis with local correction functions

K. B. Whaley, I. P. Hamilton, John C. Light, 1986 .

Infrared and Raman spectra for complexes of small cationic gold clusters and hydrogen sulphide

I. Hamilton, G. P. Li, 2004 .

Stabilization of Columnar Liquid Crystal Phases via Arene-Perfluoroarene Interactions.

I. Hamilton, S. Eichhorn, Heather M Gaebler, 2019, Organic letters.

The stability of small helical gold nanorods: A relativistic density functional study

Ian Hamilton, Peter Schwerdtfeger, Xiao-Jing Liu, 2012, J. Comput. Chem..

Density functional theory calculations on the adsorption of monomethylarsonic acid onto hydrated iron (oxyhydr)oxide clusters

I. Hamilton, Hind A. Al-Abadleh, Adrian Adamescu, 2017 .

Dispersion Effects on the Thermodynamics and Transition States of Dimethylarsinic Acid Adsorption on Hydrated Iron (Oxyhydr)oxide Clusters from Density Functional Theory Calculations.

I. Hamilton, Hind A. Al-Abadleh, Adrian Adamescu, 2016, The journal of physical chemistry. A.

The HF2−–CH3CH2OH complex: a theoretical study

I. Hamilton, Guangping Li, 2003 .

Quantum chemical calculations on solvation effects for selected photoreactive aromatic organic molecules of atmospheric relevance

I. Hamilton, Hind A. Al-Abadleh, G. Wentworth, 2011 .

The hydroperoxyl anion HO - 2 : Ab initio potential energy surface and vibrational splittings for proton transfer

I. Hamilton, Wai-To Chan, 1996 .

The HF2−–(H2O)2 complex: a theoretical study

I. Hamilton, G. P. Li, 2003 .

PSEUDOSPECTRAL CALCULATION OF NEAR-DISSOCIATIVE LOCAL MODE STATES FOR THE BIFLUORIDE ANION HF-2

I. Hamilton, M. Bramley, G. C. Corey, 1995 .

The singlet and triplet states of HF2+: a theoretical study

I. Hamilton, G. P. Li, 2000 .

Vibrational levels for the lowest‐lying triplet and singlet states of CH2 and NH+2

P. Jensen, I. Hamilton, V. Barclay, 1993 .

Rotation-vibration energies for the HO2 molecule

P. Jensen, I. Hamilton, P. Bunker, 1992 .

Exit channel corrected phase space theory for product distributions in unimolecular decay

P. Brumer, I. Hamilton, 1985 .

PROTONATED FLUORINE, HF2+ : AB INITIO POTENTIAL ENERGY SURFACE AND VIBRATIONAL SPLITTINGS FOR PROTON TRANSFER

I. Hamilton, Wai-To Chan, 1998 .

Energy level statistics for the regular energy spectrum of nonlinear triatomics: Nongeneric aspects and quantum chaos

I. Hamilton, 1990 .

Intramolecular relaxation in N=2 Hamiltonian systems: The role of the K entropy

P. Brumer, I. Hamilton, 1983 .

Direct Measurement of Interhelical DNA Repulsion and Attraction by Quantitative Cross-Linking

D. Herschlag, R. Russell, I. Hamilton, 2022, Journal of the American Chemical Society.

Chemical bonding in groups 10, 11, and 12 transition metal homodimers — An electron density study

I. Hamilton, S. Sadjadi, C. Matta, 2013 .

Trends in the frequencies of ν(AsOxHx–1) [x = 2–4] in selected As(V)-containing compounds investigated using quantum chemical calculations

I. Hamilton, Hind A. Al-Abadleh, Holly Gray, 2010 .

Self-abstraction in aliphatic hydroperoxyl radicals

I. Hamilton, H. O. Pritchard, Wai-To Chan, 1998 .

Dissociative ring-closure in aliphatic hydroperoxyl radicals

I. Hamilton, H. O. Pritchard, Wai-To Chan, 1999 .

Vibrational splittings for hydrogen atom exchange in hydroperoxo radical: the effect of oxygen-oxygen displacement and vibration

I. Hamilton, N. Adhikari, 1991 .

Vibrational spacings for HO2 and vibrational splittings for hydrogen atom exchange

I. Hamilton, N. Adhikari, 1990 .

Correspondence between the one-electron potential and the Laplacian of the electron density as indicators of proton affinity

I. Hamilton, Wai-To Chan, 1999 .

Valence shell structures in the distributions of the Laplacian of the electron density and the one-electron potential for diatomic molecules

I. Hamilton, Wai-To Chan, 1998 .

Thermal dissociation of diatomics in inert gases : a Nosé equation approach

I. Hamilton, L. Liu, 1990 .

Hydrogen atom transfer in alkane thiol-gold cluster complexes: A density functional theory study

I. Hamilton, S. C. Smith, 2013 .

Energy stepping close to dissociation for HF in a moderate laser field

I. Hamilton, D. Permann, 1992 .

Bonding and metastability for Group 12 dications

SeyedAbdolreza Sadjadi, Chérif F Matta, Ian P Hamilton, 2020, J. Comput. Chem..

Wavelet analysis of time series for the weakly forced and weakly damped Morse oscillator

I. Hamilton, D. Permann, 1994 .

Adsorption of small molecules on helical gold nanorods: A relativistic density functional study

Ian Hamilton, Xiao-Jing Liu, I. Hamilton, 2014, J. Comput. Chem..

Insight into the chemical reaction of CH2OH with NO: Formation of N-hydroxy formamide as an isocyanic acid precursor

I. Hamilton, D. Koh, K. T. Kim, 2007 .

Fisher information and kinetic energy functionals: A dequantization approach

I. P. Hamilton, Ricardo A. Mosna, I. Hamilton, 2009, J. Comput. Appl. Math..

Towards the Information-Theoretic Construction of an Orbital-Free Kinetic-Energy Functional

I. Hamilton, 2014 .

Vibrational spacings for H+3

I. Hamilton, 1987 .