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There are 9522 results for: content related to: Comment on “Density and physical current density functional theory”

  1. You have free access to this content
    Calculation of response properties with the normalized elimination of the small component method

    International Journal of Quantum Chemistry

    Volume 114, Issue 15, 5 August 2014, Pages: 993–1005, Michael Filatov, Wenli Zou and Dieter Cremer

    Article first published online : 14 NOV 2013, DOI: 10.1002/qua.24578

  2. Theoretical investigation of geometry and stability of small lithium-iodide LinI (n = 2–6) clusters

    International Journal of Quantum Chemistry

    Volume 114, Issue 3, 5 February 2014, Pages: 192–208, Milan Z. Milovanović and Stanka V. Jerosimić

    Article first published online : 16 SEP 2013, DOI: 10.1002/qua.24542

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    Atomistic modeling toward high-efficiency carbon capture: A brief survey with a few illustrative examples

    International Journal of Quantum Chemistry

    Volume 114, Issue 3, 5 February 2014, Pages: 163–175, Amitesh Maiti

    Article first published online : 15 NOV 2013, DOI: 10.1002/qua.24579

  4. Reply to the comment on “CCSD study of anharmonic Raman cross sections of fundamental, overtone, and combination transitions”

    International Journal of Quantum Chemistry

    Volume 113, Issue 24, 15 December 2013, Pages: 2637–2639, Luciano N. Vidal and Pedro A. M. Vazquez

    Article first published online : 17 JUL 2013, DOI: 10.1002/qua.24513

  5. Comment on “CCSD study of anharmonic Raman cross sections of fundamental, overtone, and combination transitions”

    International Journal of Quantum Chemistry

    Volume 113, Issue 24, 15 December 2013, Pages: 2634–2636, Michael Chrysos and David Kremer

    Article first published online : 15 JUL 2013, DOI: 10.1002/qua.24514

  6. A tail bound for read-k families of functions

    Random Structures & Algorithms

    Dmitry Gavinsky, Shachar Lovett, Michael Saks and Srikanth Srinivasan

    Article first published online : 6 MAR 2014, DOI: 10.1002/rsa.20532

  7. The impact of bitwise operators on hash uniformity in network packet processing

    International Journal of Communication Systems

    Bing Xiong, Kun Yang, Feng Li, Xiaosu Chen, Jianming Zhang, Qiang Tang and Yuansheng Luo

    Article first published online : 3 APR 2013, DOI: 10.1002/dac.2532

  8. Network analysis for active and passive propagation models

    Networks

    Volume 63, Issue 2, March 2014, Pages: 160–169, In-Jae Kim, Brian P. Barthel, Yuyoung Park, Jordan R. Tait, Joseph L. Dobmeier, Sung Kim and Dooyoung Shin

    Article first published online : 11 OCT 2013, DOI: 10.1002/net.21532

  9. Information-theoretical analysis for the SN2 exchange reaction CH3Cl + F

    International Journal of Quantum Chemistry

    Volume 113, Issue 24, 15 December 2013, Pages: 2589–2599, Moyocoyani Molina-Espíritu, Rodolfo O. Esquivel, Juan Carlos Angulo, Juan Antolín, Cristina Iuga and Jesús S. Dehesa

    Article first published online : 17 JUL 2013, DOI: 10.1002/qua.24510

  10. Effective band gap reduction of titanium oxide semiconductors by codoping from first-principles calculations

    International Journal of Quantum Chemistry

    Volume 113, Issue 23, 5 December 2013, Pages: 2546–2553, Xiaohui Yu, Tingjun Hou, Youyong Li, Xuhui Sun and Shuit-Tong Lee

    Article first published online : 28 JUN 2013, DOI: 10.1002/qua.24502

  11. BetaVoid: Molecular voids via beta-complexes and Voronoi diagrams

    Proteins: Structure, Function, and Bioinformatics

    Jae-Kwan Kim, Youngsong Cho, Roman A Laskowski, Seong Eon Ryu, Kokichi Sugihara and Deok-Soo Kim

    Article first published online : 20 MAR 2014, DOI: 10.1002/prot.24537

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    CRYSTAL14: A program for the ab initio investigation of crystalline solids

    International Journal of Quantum Chemistry

    Roberto Dovesi, Roberto Orlando, Alessandro Erba, Claudio M. Zicovich-Wilson, Bartolomeo Civalleri, Silvia Casassa, Lorenzo Maschio, Matteo Ferrabone, Marco De La Pierre, Philippe D'Arco, Yves Noël, Mauro Causà, Michel Rérat and Bernard Kirtman

    Article first published online : 11 MAR 2014, DOI: 10.1002/qua.24658

  13. Influence of bipolaron density on the transport properties of thermalized organic conductors

    International Journal of Quantum Chemistry

    Volume 113, Issue 23, 5 December 2013, Pages: 2540–2545, Marcos Andre Pereira dos Santos, Wiliam Ferreira da Cunha, Pedro Henrique de Oliveira Neto and Geraldo Magela e Silva

    Article first published online : 26 JUN 2013, DOI: 10.1002/qua.24501

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    Quantum Monte Carlo for Ab Initio calculations of energy-relevant materials

    International Journal of Quantum Chemistry

    Volume 114, Issue 2, 15 January 2014, Pages: 94–101, Lucas K. Wagner

    Article first published online : 5 AUG 2013, DOI: 10.1002/qua.24526

  15. Backbiting and β-scission reactions in free-radical polymerization of methyl acrylate

    International Journal of Quantum Chemistry

    Volume 114, Issue 5, 5 March 2014, Pages: 345–360, Shi Liu, Sriraj Srinivasan, Michael C. Grady, Masoud Soroush and Andrew M. Rappe

    Article first published online : 19 NOV 2013, DOI: 10.1002/qua.24572

  16. Electronic quantum trajectories in a quantum dot

    International Journal of Quantum Chemistry

    Volume 114, Issue 14, 15 July 2014, Pages: 920–930, Ciann-Dong Yang and Shih-Ming Huang

    Article first published online : 22 APR 2014, DOI: 10.1002/qua.24692

  17. Complex-scaling calculations for resonance states of he with screened coulomb potentials

    International Journal of Quantum Chemistry

    Volume 113, Issue 24, 15 December 2013, Pages: 2569–2579, Li Guang Jiao and Yew Kam Ho

    Article first published online : 1 JUL 2013, DOI: 10.1002/qua.24504

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    Gradient-driven molecule construction: An inverse approach applied to the design of small-molecule fixating catalysts

    International Journal of Quantum Chemistry

    Volume 114, Issue 13, 5 July 2014, Pages: 838–850, Thomas Weymuth and Markus Reiher

    Article first published online : 25 APR 2014, DOI: 10.1002/qua.24686

  19. Guest–host interaction in an aza crown analog

    International Journal of Quantum Chemistry

    Volume 114, Issue 11, 5 June 2014, Pages: 708–719, Ranjita Das and Pratim Kumar Chattaraj

    Article first published online : 26 FEB 2014, DOI: 10.1002/qua.24648

  20. Total scattering cross sections for ethylene by electron impact for incident electron energies from 1 to 2000 eV

    International Journal of Quantum Chemistry

    Volume 114, Issue 4, 15 February 2014, Pages: 271–277, Rahla Naghma and Bobby Antony

    Article first published online : 7 OCT 2013, DOI: 10.1002/qua.24556