Memento - Journals

Computing Letters

Latest Volume:3(2-4)

Published On: 2007

Publisher: VSP, an imprint of Brill


	Electric and Magnetic Properties of Atoms and Molecules: A special issue in honour of Professor A.D.Buckingham Authors: Papadopoulos, M.G.; Maroulis, G.; Champagne, B.;
	Hartree-Fock limit values of multipole moments, polarizabilities and hyperpolarizabilities for atoms and diatomic molecules Authors: Kobus, J.;
	Dynamic Polarizability Functions of the Hydrogen Molecule Authors: Buldakov, M.A.; Cherepanov, V.N.; Nagornova, N.S.;
	Computation of Optical Rotation using TimeDependent Density Functional Theory Authors: Autschbach, J.;
	The Account of Molecular Multipole Moments in the Study of the Effect of Locally Anisotropic Polarizable Deformable Medium on the Nonlinear Optical Response of Incorporated Chromophore Authors: Balakina, Marina Y.u.;
	First-Principles Langevin Molecular Dynamics Studies of Metallic and Semiconductor Clusters: GGA versus LDA Results Authors: Balbas, L.C.;
	On the Many-Body Components of Interaction-Induced Electric Properties: Linear Fluoroacetylene Trimer as a Case Study. Authors: Skwara, B.; Zawada, A.; Bartkowiak, W.;
	Response Properties of 2-Electron 2-D Quantum Dots: Triplet Versus Singlet. Authors: Ghosh, Manas; Hazra, Ram Kuntal; Bhattacharyya, S.P.;
	Theoretical Evaluation of the Faraday Effect in Organic Compounds Authors: Botek, Edith; Champagne, Benoit; Gangopadhyay, Palash; Persoons, Andre; Verbiest, Thierry;
	DFT Optimized All-Electron Basis Sets for Gradient Corrected Functionals: 4d Transition Metals Authors: Calaminici, Patrizia; Mejia-Olvera, Roberto;
	The Dipole Polarizability of Uracil in Aqueous Solution. A Sequential Monte Carlo/Quantum Mechanics Study Authors: Ludwig, V.; Canuto, S.;
	Electronic Structure Principles in Static and Dynamic Situations Authors: Chattaraj, P.K.; Roy, D.R.; Giri, S.;
	Parallelization Efficiency of the Elongation Method and its Application to NLO Design for Urea Crystal Authors: Ohnishi, Shin-ichi; Gu, Feng Long; Naka, Kazunari; Aoki, Yuriko;
	Ab Initio Studies of the Dipole Moments and Polarizabilities of p-nitroaniline and Related Molecules in their Ground and Excited States. Authors: Hinchliffe, Alan; Efhil, Mohamed; Soscun, Humberto J.;
	Static Polarizabilities () and Second Hyperpolarizabilities () of One-Dimensional Hydrogen-Bonded Formamides Authors: Kishi, Ryohei; Umezaki, Shin-Ya; Takebe, Akihito; Nate, Masahito; Takahashi, Hideaki; Nakano, Masayoshi;
	Theoretical Modeling of Cation- interactions in Various Environments: Case Study Using BenzeneAmmonium and BenzeneTetramethyl- Ammonium Ion Interactions as Model Systems Authors: Majumdar, D.; Leszczynski, J.;
	Partial Least Squares Prediction of the Hyperpolarizabilities of Aniline Octamer Derivatives Authors: Costa, M.B. da S.; Machado, A.E. de A.; Neto, B. Barros;
	On the Efficient Selection of Frequencies for Interpolating Dynamic Multipole Polarizabilities Authors: Figari, G.; Magnasco, V.;
	Origin of the Bulk Effect on the NLO Property of P-terphenyl Microcrystalline Structure Computer Simulations Authors: Makowska-Janusik, M.;
	Average Low and High Momenta in Singly-Excited 1snl States of the He Atom Authors: Matsuyama, Hisashi; Koga, Toshikatsu;
	Hartree-Fock Calculations of Optical Hyperpolarizability of Molecules, Fullerenes, and Carbon Nanotubes Interacting With Ionic Crystal Surface Authors: Mestechkin, M.M.;
	Homogenoues Solvent Models for Linear and Nonlinear Optical Properties Authors: Mikkelsen, Kurt V.;
	Second Hyperpolarizability of Zethrenes Authors: Nakano, Masayoshi; Kishi, Ryohei; Takebe, Akihito; Nate, Masahito; Takahashi, Hideaki; Kubo, Takashi; Kamada, Kenji; Ohta, Koji; Champagne, Benoit; Botek, Edith;
	Structure and Charge Distribution, Electronic and Vibrational (Hyper)Polarizabilities of Some TICT Molecules Authors: Hadj Ben Ali, M.; Saal, A.; Ouamerali, O.;
	Analytical Dipole Moments and Dipole Polarizabilities of Oxygen Mono-Fluoride and Nitrogen Dioxide: A Constrained Variational Response to Fock-Space Multi-Reference Coupled-Cluster Method Authors: Bag, Arijit; Manohar, Prashant Uday; Pal, Sourav;
	The Effect of Xenon Insertion on the Linear and Non-Linear Optical Properties of HXeOH and HXeSH Authors: Avramopoulos, Aggelos; Papadopoulos, Manthos G.;
	Role of Dipolar Interactions in Fine-Tuning the Linear and Nonlinear Optical Responses in Porphyrins Authors: Pal, Shrinwantu; Datta, Ayan; Pati, Swapan K.;
	Electronic Electrostatic Potentials of Molecules, Local Hardness, Local Polarizability and Local Ionization Energy Authors: Jin, P.; Murray, J.S.; Politzer, P.;
	Dipole Polarizability of Sodium Authors: Sadlej, Andrzej J.;
	Correlated Linear Response Calculations of the C6 Dispersion Coefficients of Hydrogen Halides Authors: Sauer, Stephan P.A.; Paidarova, Ivana;
	Evaluation of NMR Chemical Shift by Fragment Molecular Orbital Method Authors: Sekino, Hideo; Matsumura, Naoki; Sengoku, Yasuo;
	A Distributed Hyperpolarizability Model for Liquid Water Authors: Neipert, C.; Space, B.;
	Theoretical Study on the Polarizabilities of Molecules in Solution by the Quantum Mechanical/Molecular Mechanical Approach: Comparison with the Polarizable Continuum Model Authors: Takahashi, Hideaki; Kitaura, Masahiro; Kishi, Ryohei; Ohta, Suguru; Okaji, Rika; Furukawa, Shin-ichi; Nakano, Masayoshi;
	Vibrational Spectroscopic Signature Indicating the Mixing of the Cis Conformers in Liquid N-Methylformamide Authors: Yoshida, Masaki; Torii, Hajime;
	Real Time Dynamics of Hole Propagation in Strongly Correlated Conjugated Molecular Chains: A time-dependent DMRG Study Authors: Dutta, Tirthankar; Ramasesha, S.;
	Removing extra frontier parameters in QM/MM methods : a tentative with the Local Self-Consistent Field approach Authors: Loos, P.F.; Fornili, A.; Sironi, M.; Assfeld, X.;