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492 related items for PubMed ID: 25362281

  • 21. Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method.
    Ghosh D.
    J Chem Phys; 2014 Mar 07; 140(9):094101. PubMed ID: 24606347
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  • 22. Low scaling EOM-CCSD and EOM-MBPT(2) method with natural transition orbitals.
    Park YC, Perera A, Bartlett RJ.
    J Chem Phys; 2018 Nov 14; 149(18):184103. PubMed ID: 30441920
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  • 23. Spin-orbit coupling with approximate equation-of-motion coupled-cluster method for ionization potential and electron attachment.
    Cao Z, Wang F, Yang M.
    J Chem Phys; 2016 Oct 21; 145(15):154110. PubMed ID: 27782461
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  • 24. Pushing the Limits of EOM-CCSD with Projector-Based Embedding for Excitation Energies.
    Bennie SJ, Curchod BFE, Manby FR, Glowacki DR.
    J Phys Chem Lett; 2017 Nov 16; 8(22):5559-5565. PubMed ID: 29076727
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  • 25. Benchmarking for perturbative triple-excitations in EE-EOM-CC methods.
    Watson TJ, Lotrich VF, Szalay PG, Perera A, Bartlett RJ.
    J Phys Chem A; 2013 Mar 28; 117(12):2569-79. PubMed ID: 23406329
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  • 26. Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory.
    Kuś T, Bartlett RJ.
    J Chem Phys; 2009 Sep 28; 131(12):124310. PubMed ID: 19791884
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  • 27. Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach.
    Caricato M, Mennucci B, Scalmani G, Trucks GW, Frisch MJ.
    J Chem Phys; 2010 Feb 28; 132(8):084102. PubMed ID: 20192285
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  • 28. Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions.
    Jagau TC.
    J Chem Phys; 2018 Jan 14; 148(2):024104. PubMed ID: 29331139
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  • 29. Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride.
    Pavošević F, Hammes-Schiffer S.
    J Chem Phys; 2019 Apr 28; 150(16):161102. PubMed ID: 31042898
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  • 30. Benchmarking second order methods for the calculation of vertical electronic excitation energies: valence and Rydberg states in polycyclic aromatic hydrocarbons.
    Falden HH, Falster-Hansen KR, Bak KL, Rettrup S, Sauer SP.
    J Phys Chem A; 2009 Oct 29; 113(43):11995-2012. PubMed ID: 19780572
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  • 31. Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Molecules with C, N, and O Double and Triple Bonds and Selected F-Substituted Derivatives.
    Del Bene JE, Alkorta I, Elguero J.
    J Chem Theory Comput; 2009 Jan 13; 5(1):208-16. PubMed ID: 26609834
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  • 32. Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling.
    Wang Z, Hu S, Wang F, Guo J.
    J Chem Phys; 2015 Apr 14; 142(14):144109. PubMed ID: 25877564
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  • 33. Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited states.
    Villaume S, Daniel C, Strich A, Perera SA, Bartlett RJ.
    J Chem Phys; 2005 Jan 22; 122(4):44313. PubMed ID: 15740254
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  • 34. Static polarizabilities for excited states within the spin-conserving and spin-flipping equation-of-motion coupled-cluster singles and doubles formalism: Theory, implementation, and benchmarks.
    Nanda KD, Krylov AI.
    J Chem Phys; 2016 Nov 28; 145(20):204116. PubMed ID: 27908122
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  • 35. Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods.
    Dutta AK, Pal S, Ghosh D.
    J Chem Phys; 2013 Sep 28; 139(12):124116. PubMed ID: 24089759
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  • 36. Targeting Doubly Excited States with Equation of Motion Coupled Cluster Theory Restricted to Double Excitations.
    Boguslawski K.
    J Chem Theory Comput; 2019 Jan 08; 15(1):18-24. PubMed ID: 30525613
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  • 37. Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach.
    Arias-Martinez JE, Cunha LA, Oosterbaan KJ, Lee J, Head-Gordon M.
    Phys Chem Chem Phys; 2022 Sep 14; 24(35):20728-20741. PubMed ID: 36004629
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  • 38. An EOM-CCSD-PCM Benchmark for Electronic Excitation Energies of Solvated Molecules.
    Ren S, Harms J, Caricato M.
    J Chem Theory Comput; 2017 Jan 10; 13(1):117-124. PubMed ID: 27973775
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  • 39. Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations.
    Epifanovsky E, Klein K, Stopkowicz S, Gauss J, Krylov AI.
    J Chem Phys; 2015 Aug 14; 143(6):064102. PubMed ID: 26277122
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  • 40. Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions.
    Li Z, Liu W.
    J Chem Theory Comput; 2016 Jan 12; 12(1):238-60. PubMed ID: 26672389
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