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Search Results (48 titles)

 

Federated Media Type
 
The Journal of Chemical Physics Collection (X)

       
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Records: 1 - 20 of 48 - Pages: 
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The Journal of Chemical Physics : Precision shooting: Sampling long transition pathways

By: Michael Grünwald, Christoph Dellago, and Phillip L. Geissler
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The Journal of Chemical Physics : Optimized effective potentials from arbitrary basis sets

By: Tim Heaton-Burgess and Weitao Yang
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The Journal of Chemical Physics : Optimal alignment control of a nonpolar molecule through nonresonant multiphoton transitions

By: Kazuyuki Nakagami, Yoshihiko Mizumoto, and Yukiyoshi Ohtsuki
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The Journal of Chemical Physics : Coarse grained open system quantum dynamics

By: Ioannis Thanopulos, Paul Brumer, and Moshe Shapiro
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The Journal of Chemical Physics : A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions

By: Prashant U. Manohar and Anna I. Krylov
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The Journal of Chemical Physics : Perturbative calculation of spin-orbit splittings using the equation-of-motion ionization-potential coupled-cluster ansatz

By: Kerstin Klein and Jürgen Gauss
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The Journal of Chemical Physics : Magnetic exchange couplings from noncollinear spin density functional perturbation theory

By: Juan E. Peralta and Veronica Barone
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The Journal of Chemical Physics : Optical absorption of small silver clusters: Agn, (n = 4…22)

By: M. Harb, F. Rabilloud, D. Simon, A. Rydlo, S. Lecoultre et al
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The Journal of Chemical Physics : An efficient implementation for determining volume polarization in selfconsistent reaction field theory

By: Marius J. Vilkas and Chang-Guo Zhan
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The Journal of Chemical Physics : First-principles study of thermal and electron-activated dissociation of acetone on Si(001)

By: Jun-Ho Lee, Ji Young Lee, and Jun-Hyung Cho
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The Journal of Chemical Physics : On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions

By: Biswajit Santra, Angelos Michaelides, Martin Fuchs, Alexandre Tkatchenko, Claudia Filippi et al
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The Journal of Chemical Physics : Quantum trajectory calculations for bipolar wavepacket dynamics in one dimension

By: Kisam Park, Bill Poirier, and Gérard Parlant
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The Journal of Chemical Physics : Nonlinear quantum time correlation functions from centroid molecular dynamics and the maximum entropy method

By: Francesco Paesani and Gregory A. Voth
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The Journal of Chemical Physics : Exact integral constraint requiring only the ground-state electron density as input on the exchange-correlation force ..Vxc(r)/.r for spherical atoms

By: N. H. March and Á. Nagy
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The Journal of Chemical Physics : The CCSD(T) complete basis set limit for Ne revisited

By: Ericka C. Barnes, George A. Petersson, David Feller, and Kirk A. Peterson
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The Journal of Chemical Physics : Analysis of polyatomic molecules using high resolution coherent twodimensional spectroscopy: Application to nitrogen dioxide

By: Peter C. Chen and Kamilah Mitchell
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The Journal of Chemical Physics : Melting scenario in metallic clusters

By: P. J. Hsu, J. S. Luo, S. K. Lai, J. F. Wax, and J.-L. Bretonnet
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The Journal of Chemical Physics : Kinetic and theoretical study of the reaction of Cl atoms with a series of linear thiols

By: Andrés Garzón, José Albaladejo, Alberto Notario, Tomás Peña-Ruiz, and Manuel Fernández-Gómez
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The Journal of Chemical Physics : Photodissociation dynamics of methyl formate at 193.3 nm: Branching ratios, kinetic-energy distributions, and angular anisotropies of products

By: Shih-Huang Lee
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The Journal of Chemical Physics : The multiconfigurational-reference internally contracted configuration interaction/complete basis set study of the excited states of the trifluoride anion F3-

By: Jirí Czernek and Oldrich Živný
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Records: 1 - 20 of 48 - Pages: 
 
 





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