Computing Letters
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117

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1574-0404

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Electric and Magnetic Properties of Atoms and Molecules: A special issue in honour of Professor A.D.Buckingham

Computing Letters ◽

10.1163/157404007782913264 ◽

2007 ◽

Vol 3 (2) ◽

pp. i-iv ◽

Cited By ~ 1

Author(s):

Papadopoulos ◽

Champagne ◽

Maroulis

Keyword(s):

Magnetic Properties ◽

Special Issue ◽

Atoms And Molecules

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Theoretical Evaluation of the Faraday Effect in Organic Compounds

Computing Letters ◽

10.1163/157404007782913156 ◽

2007 ◽

Vol 3 (2) ◽

pp. 193-200 ◽

Cited By ~ 3

Author(s):

Edith Botek ◽

Benoît Champagne ◽

André Persoons ◽

Palash Gangopadhyay ◽

Thierry Verbiest

Keyword(s):

Organic Compounds ◽

Faraday Effect ◽

Theoretical Evaluation

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Real Time Dynamics of Hole Propagation in Strongly Correlated Conjugated Molecular Chains: A time-dependent DMRG Study

Computing Letters ◽

10.1163/157404007782913219 ◽

2007 ◽

Vol 3 (2) ◽

pp. 457-472 ◽

Cited By ~ 4

Author(s):

Tirthankar Dutta ◽

Ramasesha

Keyword(s):

Real Time ◽

Time Dependent ◽

Strongly Correlated ◽

Time Dynamics

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Homogenoues Solvent Models for Linear and Nonlinear Optical Properties

Computing Letters ◽

10.1163/157404007782913192 ◽

2007 ◽

Vol 3 (2) ◽

pp. 315-331

Author(s):

Kurt Mikkelsen

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Solvent Models ◽

Linear And Nonlinear

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Removing extra frontier parameters in QM/MM methods : a tentative with the Local Self-Consistent Field approach

Computing Letters ◽

10.1163/157404007782913309 ◽

2007 ◽

Vol 3 (2) ◽

pp. 473-486 ◽

Cited By ~ 6

Author(s):

Loos ◽

Assfeld ◽

Fornili ◽

Sironi

Keyword(s):

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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DFT Optimized All-Electron Basis Sets for Gradient Corrected Functionals: 4d Transition Metals

Computing Letters ◽

10.1163/157404007782913318 ◽

2007 ◽

Vol 3 (2) ◽

pp. 201-213 ◽

Cited By ~ 1

Author(s):

Patrizia Calaminici ◽

Roberto Mejia-Olvera

Keyword(s):

Transition Metals ◽

Basis Sets

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Partial Least Squares Prediction of the Hyperpolarizabilities of Aniline Octamer Derivatives

Computing Letters ◽

10.1163/157404007782913228 ◽

2007 ◽

Vol 3 (2) ◽

pp. 267-276 ◽

Cited By ~ 4

Author(s):

M.B. da Costa ◽

B. Barros Neto ◽

A.E. de Machado

Keyword(s):

Least Squares ◽

Partial Least Squares

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Electronic Electrostatic Potentials of Molecules, Local Hardness, Local Polarizability and Local Ionization Energy

Computing Letters ◽

10.1163/157404007782913174 ◽

2007 ◽

Vol 3 (2) ◽

pp. 373-385 ◽

Cited By ~ 4

Author(s):

Jin ◽

Murray ◽

Politzer

Keyword(s):

Ionization Energy ◽

Electrostatic Potentials ◽

Local Hardness

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A Distributed Hyperpolarizability Model for Liquid Water

Computing Letters ◽

10.1163/157404007782913291 ◽

2007 ◽

Vol 3 (2) ◽

pp. 431-440

Author(s):

Neipert ◽

Space

Keyword(s):

Liquid Water

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The Dipole Polarizability of Uracil in Aqueous Solution. A Sequential Monte Carlo/Quantum Mechanics Study

Computing Letters ◽

10.1163/157404007782913138 ◽

2007 ◽

Vol 3 (2) ◽

pp. 215-222

Author(s):

Ludwig ◽

Canuto

Keyword(s):

Aqueous Solution ◽

Monte Carlo ◽

Quantum Mechanics ◽

Sequential Monte Carlo ◽

Dipole Polarizability

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