Year |
Citation |
Score |
2014 |
Beiersdorfer P, Bode MP, Ishikawa Y, Diaz F. L-shell dielectronic satellite transitions of Fe XVII Astrophysical Journal. 793. DOI: 10.1088/0004-637X/793/2/99 |
0.308 |
|
2014 |
Santana JA, Ishikawa Y, Träbert E. Relativistic MR-MP calculations of the energy levels and transition probabilities in Ni- to Kr-like Pt ions Atomic Data and Nuclear Data Tables. 100: 183-271. DOI: 10.1016/J.Adt.2013.05.001 |
0.392 |
|
2013 |
Díaz F, Vilkas MJ, Ishikawa Y, Beiersdorfer P. High-accuracy MR-MP perturbation theory energy and radiative rates calculations for core-excited transitions in Fe Astrophysical Journal, Supplement Series. 207. DOI: 10.1088/0067-0049/207/1/11 |
0.378 |
|
2013 |
Beiersdorfer P, Lepson JK, Díaz F, Ishikawa Y, Träbert E. Measurement and calculation of L-shell transitions in M-shell iron ions Physica Scripta. DOI: 10.1088/0031-8949/2013/T156/014007 |
0.344 |
|
2013 |
Skachkov D, Rao CV, Ishikawa Y. A Combined First-Principles Molecular Dynamics/Density-Functional Theory Study of Ammonia Electrooxidation on Pt(1 0 0) Electrode Journal of Physical Chemistry C. 117: 25451-25466. DOI: 10.1021/Jp4048874 |
0.336 |
|
2012 |
Hoshiba Y, Maeda Y, Hamada K, Fukuoka S, Ishikawa Y, Kurita N. A combined Green’s function/density-functional theory study of electrical conducting properties of solvated single molecules tethered to Au electrodes Chemical Physics Letters. 521: 39-44. DOI: 10.1016/J.Cplett.2011.11.060 |
0.302 |
|
2011 |
Santana JA, López-Encarnación JM, Ishikawa Y. Density-functional theory study of the reaction pathway for methanol demethanation on Nin+ (n = 3,4) Chemical Physics Letters. 508: 242-247. DOI: 10.1016/J.Cplett.2011.03.063 |
0.322 |
|
2010 |
Träbert E, Clementson J, Beiersdorfer P, Santana JA, Ishikawa Y. Extreme-ultraviolet spectra of highly charged Pt ions with several valence-shell electrons: Observation and accurate calculations Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.062519 |
0.349 |
|
2010 |
Santana JA, Ishikawa Y. Relativistic R-matrix close-coupling method based on the effective many-body Hamiltonian: electron-impact excitation of electric dipole-allowed and spin-forbidden transitions of the S4 + ion Journal of Physics B. 43: 74030. DOI: 10.1088/0953-4075/43/7/074030 |
0.324 |
|
2010 |
Santana JA, Mateo JJ, Ishikawa Y. Electrochemical Hydrogen Oxidation on Pt(110): A Combined Direct Molecular Dynamics/Density Functional Theory Study Journal of Physical Chemistry C. 114: 4995-5002. DOI: 10.1021/Jp909834Q |
0.335 |
|
2010 |
Santana JA, Ishikawa Y. Interactions between interfacial water and CO adsorbed on Pt and Pt–Ru alloy surfaces under electrochemical conditions: Density-functional theory study Electrochimica Acta. 56: 945-952. DOI: 10.1016/J.Electacta.2010.09.074 |
0.309 |
|
2009 |
Delgado JC, Ishikawa Y, Selsby RG. The calculated ionization potential and electron affinity of cationic cyanine dyes. Photochemistry and Photobiology. 85: 1286-98. PMID 19706146 DOI: 10.1111/J.1751-1097.2009.00601.X |
0.398 |
|
2009 |
Santana JA, Ishikawa Y, Träbert E. Multireference - Møller-Plesset Perturbation Theory Results on Levels and Transition Rates in Al-like Ions of Iron Group Elements Physica Scripta. 79: 65301. DOI: 10.1088/0031-8949/79/06/065301 |
0.335 |
|
2009 |
Ishikawa Y, Encarnación JML, Träbert E. N=3–3 transitions of Ne-like ions in the iron group, especially Ca10+ and Ti12+ Physica Scripta. 79: 25301. DOI: 10.1088/0031-8949/79/02/025301 |
0.313 |
|
2009 |
Singhal R, Saavedra-Aries JJ, Katiyar R, Ishikawa Y, Vilkas MJ, Das SR, Tomar MS, Katiyar RS. Spinel LiMn2−xNixO4 cathode materials for high energy density lithium ion rechargeable batteries Journal of Renewable and Sustainable Energy. 1: 023102. DOI: 10.1063/1.3103483 |
0.342 |
|
2009 |
Sekino H, Ishikawa Y. Relativistic diagrammatic perturbation theory calculations on neon atom International Journal of Quantum Chemistry. 36: 339-344. DOI: 10.1002/Qua.560360837 |
0.407 |
|
2009 |
Santana JA, Ishikawa Y. Effective collision strengths for electron-impact excitation of transitions within the ground 1s2 2s2 2p4 manifold of O-like Fe18+ International Journal of Quantum Chemistry. 109: 1920-1927. DOI: 10.1002/Qua.22023 |
0.348 |
|
2008 |
Ishikawa Y, Vilkas MJ. Relativistic many-body calculations of excited-state energies and transition wavelengths for six-valence-electron sulfurlike ions Physical Review A. 78: 42501. DOI: 10.1103/Physreva.78.042501 |
0.403 |
|
2008 |
Ishikawa Y, Vilkas MJ. Relativistic R -matrix close-coupling method based on the effective many-body Hamiltonian: Benchmarks on the electron-impact excitations of the Kr 6+ ion Physical Review A. 77: 52701. DOI: 10.1103/Physreva.77.052701 |
0.359 |
|
2008 |
Vilkas MJ, Ishikawa Y, Träbert E. Electric-dipole 5 s − 5 p transitions in promethiumlike ions Physical Review A. 77: 42510. DOI: 10.1103/Physreva.77.042510 |
0.337 |
|
2008 |
Mateo JJ, Tryk DA, Cabrera CR, Ishikawa Y. Underpotential deposition of hydrogen on Pt(111): A combined direct molecular dynamics/density functional theory study Molecular Simulation. 34: 1065-1072. DOI: 10.1080/08927020802178591 |
0.326 |
|
2008 |
Komura I, Ishikawa Y, Tsukamoto T, Natsume T, Kurita N. Density-functional calculations of hydrated structures and electronic properties for G–C and A–T base pairs Journal of Molecular Structure-Theochem. 862: 122-129. DOI: 10.1016/J.Theochem.2008.05.007 |
0.339 |
|
2008 |
Vilkas MJ, Ishikawa Y, Träbert E. Relativistic many-body Moller-Plesset perturbation theory calculations of the energy levels and transition rates in Na-like to P-like Xe ions Atomic Data and Nuclear Data Tables. 94: 650-700. DOI: 10.1016/J.Adt.2008.03.001 |
0.399 |
|
2008 |
Vilkas MJ, López-Encarnación JM, Ishikawa Y. Relativistic multireference Møller–Plesset perturbation theory calculations of the energy levels and transition probabilities in Ne-like xenon, tungsten, and uranium ions Atomic Data and Nuclear Data Tables. 94: 50-70. DOI: 10.1016/J.Adt.2007.09.001 |
0.41 |
|
2007 |
Dedachi KI, Natsume T, Nakatsu T, Tanaka S, Ishikawa Y, Kurita N. Charge Transfer Through Single- and Double-strand DNAs: Simulations Based on Molecular Dynamics and Molecular Orbital Methods. Chemical Physics Letters. 436: 244-251. PMID 19587841 DOI: 10.1016/J.Cplett.2007.01.045 |
0.302 |
|
2007 |
Tsukamoto T, Ishikawa Y, Natsume T, Dedachi K, Kurita N. A combined molecular dynamics/density-functional theoretical study on the structure and electronic properties of hydrating water molecules in the minor groove of decameric DNA duplex. Chemical Physics Letters. 441: 136-142. PMID 19587836 DOI: 10.1016/J.Cplett.2007.05.009 |
0.318 |
|
2007 |
Infante I, Eliav E, Vilkas MJ, Ishikawa Y, Kaldor U, Visscher L. A Fock space coupled cluster study on the electronic structure of the UO(2), UO(2) (+), U(4+), and U(5+) species. The Journal of Chemical Physics. 127: 124308. PMID 17902904 DOI: 10.1063/1.2770699 |
0.384 |
|
2007 |
Borschevsky A, Eliav E, Vilkas MJ, Ishikawa Y, Kaldor U. Transition energies of atomic lawrencium European Physical Journal D. 45: 115-119. DOI: 10.1140/Epjd/E2007-00130-9 |
0.385 |
|
2007 |
Vilkas MJ, Ishikawa Y, Träbert E. Relativistic multireference many-body perturbation theory calculations on Au64+ - Au69+ ions European Physical Journal D. 41: 77-93. DOI: 10.1140/Epjd/E2006-00214-0 |
0.369 |
|
2007 |
Vilkas MJ, Ishikawa Y. Relativistic R -matrix close-coupling method based on the effective Hamiltonian in many-body perturbation theory Physical Review A. 75: 62508. DOI: 10.1103/Physreva.75.062508 |
0.32 |
|
2007 |
Ishikawa Y, McQuaid MJ. Reactions of NO2 with CH3NHNH and CH3NNH2: A direct molecular dynamics study Journal of Molecular Structure: Theochem. 818: 119-124. DOI: 10.1016/J.Theochem.2007.05.014 |
0.322 |
|
2007 |
Ishikawa Y, Mateo JJ, Tryk DA, Cabrera CR. Direct molecular dynamics and density-functional theoretical study of the electrochemical hydrogen oxidation reaction and underpotential deposition of H on Pt(1 1 1) Journal of Electroanalytical Chemistry. 607: 37-46. DOI: 10.1016/J.Jelechem.2006.10.011 |
0.318 |
|
2007 |
Yanai T, Harrison RJ, Nakajima T, Ishikawa Y, Hirao K. New implementation of molecular double point-group symmetry in four-component relativistic Gaussian-type spinors International Journal of Quantum Chemistry. 107: 1382-1389. DOI: 10.1002/Qua.21266 |
0.366 |
|
2006 |
Tsukamoto T, Ishikawa Y, Natsume T, Dedachi K, Vilkas MJ, Kurita N. 密度汎関数法による水和したDnaの電子状態解析: Dna副溝内の水和水がHomoに与える影響:Dna副溝内の水和水がHomoに与える影響 Journal of Computer Aided Chemistry. 7: 190-200. DOI: 10.2751/Jcac.7.190 |
0.373 |
|
2006 |
Borschevsky A, Eliav E, Ishikawa Y, Kaldor U. Atomic transition energies and the variation of the fine-structure constant α Physical Review A. 74: 62505. DOI: 10.1103/Physreva.74.062505 |
0.37 |
|
2006 |
Vilkas MJ, Ishikawa Y, Träbert E. Relativistic multireference many-body perturbation theory calculations on F-, Ne-, Na-, Mg-, Al-, Si- and P-like xenon ions Journal of Physics B. 39: 2195-2216. DOI: 10.1088/0953-4075/39/9/008 |
0.351 |
|
2006 |
Koren T, Eliav E, Ishikawa Y, Kaldor U. Intermediate Hamiltonian coupled cluster methods: meV accuracy for alkaline earth transition energies Journal of Molecular Structure-Theochem. 768: 127-132. DOI: 10.1016/J.Theochem.2006.05.046 |
0.377 |
|
2006 |
Natsume T, Ishikawa Y, Dedachi K, Kurita N. Density-functional calculations on DNA–DNA, PNA–DNA and PNA–PNA double strands Chemical Physics Letters. 418: 239-244. DOI: 10.1016/J.Cplett.2005.10.144 |
0.377 |
|
2005 |
Eliav E, Vilkas MJ, Ishikawa Y, Kaldor U. Extrapolated intermediate Hamiltonian coupled-cluster approach: theory and pilot application to electron affinities of alkali atoms. The Journal of Chemical Physics. 122: 224113. PMID 15974657 DOI: 10.1063/1.1929727 |
0.354 |
|
2005 |
Vilkas MJ, Ishikawa Y, Träbert E. Relativistic Many-Body Perturbation Calculations of Boron-Like Silicon, Si X Physica Scripta. 72: 181-199. DOI: 10.1238/Physica.Regular.072A00181 |
0.323 |
|
2005 |
Vilkas MJ, Ishikawa Y. Relativistic multireference many-body perturbation calculations on multi-valence-electron systems: Benchmarks on Zn-like ions Physical Review A. 72: 32512. DOI: 10.1103/Physreva.72.032512 |
0.382 |
|
2005 |
Eliav E, Vilkas MJ, Ishikawa Y, Kaldor U. Ionization potentials of alkali atoms: towards meV accuracy Chemical Physics. 311: 163-168. DOI: 10.1016/J.Chemphys.2004.09.025 |
0.368 |
|
2004 |
Landau A, Eliav E, Ishikawa Y, Kaldor U. Mixed-sector intermediate Hamiltonian Fock-space coupled cluster approach. The Journal of Chemical Physics. 121: 6634-9. PMID 15473718 DOI: 10.1063/1.1788652 |
0.344 |
|
2004 |
Singh SP, Tomar M, Ishikawa Y, Majumder SB, Katiyar RS. Density-Functional Theoretical Study on the Intercalation Properties of Layered LiMO 2 (M = Zr, Nb, Rh, Mo, and Ru) Mrs Proceedings. 835. DOI: 10.1557/Proc-835-K6.3 |
0.315 |
|
2004 |
Vilkas MJ, Ishikawa Y. Relativistic many-body perturbation calculations on extreme ultraviolet and soft-x-ray transition energies in siliconlike iron Physical Review A. 69: 62503. DOI: 10.1103/Physreva.69.062503 |
0.349 |
|
2004 |
Vilkas MJ, Ishikawa Y. High-accuracy calculations of term energies and lifetimes of silicon-like ions with nuclear charges Z = 24–30 Journal of Physics B. 37: 1803-1816. DOI: 10.1088/0953-4075/37/9/003 |
0.389 |
|
2004 |
Vilkas MJ, Ishikawa Y. Relativistic multireference many-body perturbation theory calculations on ions of the phosphorus isoelectronic sequence Journal of Physics B. 37: 4763-4778. DOI: 10.1088/0953-4075/37/24/004 |
0.389 |
|
2004 |
Crespo-Hernández CE, Arce R, Ishikawa Y, Gorb L, Leszczynski J, Close DM. Ab Initio Ionization Energy Thresholds of DNA and RNA Bases in Gas Phase and in Aqueous Solution The Journal of Physical Chemistry A. 108: 6373-6377. DOI: 10.1021/Jp049270K |
0.306 |
|
2004 |
Ishikawa Y, Yilmaz H, Yanai T, Nakajima T, Hirao K. Direct ab initio molecular dynamics study of CH3++Benzene Chemical Physics Letters. 396: 16-20. DOI: 10.1016/J.Cplett.2004.07.104 |
0.31 |
|
2003 |
Vilkas MJ, Ishikawa Y. Relativistic multireference many-body perturbation-theory calculations on the multiple openshell states in siliconlike Ar and aluminumlike Fe ions Physical Review A. 68: 12503. DOI: 10.1103/Physreva.68.012503 |
0.371 |
|
2003 |
Vilkas MJ, Ishikawa Y. Relativistic multireference many-body perturbation theory calculations for siliconlike argon, iron and krypton ions Journal of Physics B. 36: 4641-4650. DOI: 10.1088/0953-4075/36/23/004 |
0.355 |
|
2003 |
Ishikawa Y, Ikegami T, Binning RC. Direct ab initio molecular dynamics study of C++H2O: angular distribution of products and distribution of product kinetic energies Chemical Physics Letters. 370: 490-495. DOI: 10.1016/S0009-2614(03)00079-4 |
0.329 |
|
2002 |
Ishikawa Y, Vilkas MJ. Relativistic multireference Møller-Plesset perturbation theory calculations on the term energy and lifetime of the 5So2 state in siliconlike ions with Z = 28-79 Physica Scripta. 65: 219-226. DOI: 10.1238/Physica.Regular.065A00219 |
0.352 |
|
2002 |
Eliav E, Landau A, Ishikawa Y, Kaldor U. Electronic structure of eka-thorium (element 122) compared with thorium Journal of Physics B: Atomic, Molecular and Optical Physics. 35: 1693-1700. DOI: 10.1088/0953-4075/35/7/307 |
0.377 |
|
2002 |
Ishikawa Y, Nakajima T, Yanai T, Hirao K. Ab initio direct molecular dynamics study of the fragmentation of F(H2O) complex generated by photodetachment of F−(H2O) anion complex Chemical Physics Letters. 363: 458-464. DOI: 10.1016/S0009-2614(02)01207-1 |
0.306 |
|
2002 |
Kurita N, Ikegami T, Ishikawa Y. Ab initio study of the minimum-energy structure of trans-azobenzene Chemical Physics Letters. 360: 349-354. DOI: 10.1016/S0009-2614(02)00854-0 |
0.352 |
|
2002 |
Ishikawa Y, Binning RC. Ab initio direct molecular dynamics study of ClONO2+H3O+ Chemical Physics Letters. 358: 509-515. DOI: 10.1016/S0009-2614(02)00643-7 |
0.338 |
|
2002 |
Ishikawa Y, Vilkas MJ. Energy levels of the 4s24p2 states of germanium and germaniumlike ions International Journal of Quantum Chemistry. 90: 410-418. DOI: 10.1002/Qua.10107 |
0.384 |
|
2001 |
Ishikawa Y, Vilkas MJ. Relativistic multireference many-body perturbation-theory calculations of the magnetic-dipole and electric-quadrupole transition probabilities of ions in the silicon isoelectronic sequence Physical Review A. 63: 42506. DOI: 10.1103/Physreva.63.042506 |
0.335 |
|
2001 |
Yanai T, Iikura H, Nakajima T, Ishikawa Y, Hirao K. A new implementation of four-component relativistic density functional method for heavy-atom polyatomic systems Journal of Chemical Physics. 115: 8267-8273. DOI: 10.1063/1.1412252 |
0.38 |
|
2001 |
Landau A, Eliav E, Ishikawa Y, Kaldor U. Intermediate Hamiltonian Fock-space coupled cluster method in the one-hole one-particle sector: Excitation energies of xenon and radon Journal of Chemical Physics. 115: 6862-6865. DOI: 10.1063/1.1405005 |
0.358 |
|
2001 |
Landau A, Eliav E, Ishikawa Y, Kaldor U. Benchmark calculations of electron affinities of the alkali atoms sodium to eka-francium (element 119) Journal of Chemical Physics. 115: 2389-2392. DOI: 10.1063/1.1386413 |
0.365 |
|
2001 |
Yanai T, Nakajima T, Ishikawa Y, Hirao K. A new computational scheme for the Dirac–Hartree–Fock method employing an efficient integral algorithm Journal of Chemical Physics. 114: 6526-6538. DOI: 10.1063/1.1356012 |
0.353 |
|
2001 |
Landau A, Eliav E, Ishikawa Y, Kaldor U. Electronic structure of eka-lead (element 114) compared with lead Journal of Chemical Physics. 114: 2977-2980. DOI: 10.1063/1.1342763 |
0.375 |
|
2001 |
Vilkas MJ, Ishikawa Y. Relativistic multireference Møller-Plesset perturbation theory calculations for the term energies and transition probabilities of ions in the nitrogen isoelectronic sequence Advances in Quantum Chemistry. 39: 261-293. DOI: 10.1016/S0065-3276(05)39016-2 |
0.387 |
|
2001 |
Ishikawa Y, Binning RC, Ikegami T. Direct ab initio molecular dynamics study of C++H2O Chemical Physics Letters. 343: 413-419. DOI: 10.1016/S0009-2614(01)00694-7 |
0.303 |
|
2001 |
Ishikawa Y, Binning RC. Direct ab initio molecular dynamics study of the protonation of nitric acid Chemical Physics Letters. 338: 353-360. DOI: 10.1016/S0009-2614(01)00261-5 |
0.336 |
|
2001 |
Ishikawa Y, Sugita Y, Nishikawa T, Okamoto Y. Ab initio replica-exchange Monte Carlo method for cluster studies Chemical Physics Letters. 333: 199-206. DOI: 10.1016/S0009-2614(00)01342-7 |
0.36 |
|
2000 |
Landau A, Eliav E, Ishikawa Y, Kaldor U. Intermediate Hamiltonian Fock-space coupled-cluster method: Excitation energies of barium and radium Journal of Chemical Physics. 113: 9905-9910. DOI: 10.1063/1.1323258 |
0.32 |
|
2000 |
Ishikawa Y, Gong Y, Weiner BR. Gaussian-2 theoretical and direct ab initio molecular dynamics study of the reaction of O(3P) with thiirane, O(3P) + C2H4S(1A1) → SO(3Σ-) + C2H4(1A(g)) Physical Chemistry Chemical Physics. 2: 869-876. DOI: 10.1039/A907976I |
0.351 |
|
2000 |
Binning JaRC, Ishikawa Y. Structures of NO2+(H2O)n and (HNO3)(H3O+)(H2O)n-2 (n = 2−4) Clusters Journal of Physical Chemistry A. 104: 8097-8104. DOI: 10.1021/Jp0010987 |
0.305 |
|
2000 |
Quiñones E, Ishikawa Y, Leszczynski J. Conformational properties of dimethylaminobenzonitrile in gas phase and polar solvents: ab initio HF/6-31G(d,p) and MP2/6-31G(d,p) investigations Journal of Molecular Structure: Theochem. 529: 127-134. DOI: 10.1016/S0166-1280(00)00539-X |
0.323 |
|
2000 |
Liao MS, Cabrera CR, Ishikawa Y. Theoretical study of CO adsorption on Pt, Ru and Pt-M (M = Ru, Sn, Ge) clusters Surface Science. 445: 267-282. DOI: 10.1016/S0039-6028(99)01075-4 |
0.35 |
|
2000 |
Ishikawa Y, Liao MS, Cabrera CR. Oxidation of methanol on platinum, ruthenium and mixed Pt-M metals (M = Ru, Sn): A theoretical study Surface Science. 463: 66-80. DOI: 10.1016/S0039-6028(00)00600-2 |
0.314 |
|
2000 |
Vilkas MJ, Ishikawa Y, Hirao K. Ionization energies and fine structure splittings of highly correlated systems: Zn, zinc-like ions and copper-like ions Chemical Physics Letters. 321: 243-252. DOI: 10.1016/S0009-2614(00)00361-4 |
0.376 |
|
2000 |
Bacelo DE, Ishikawa Y. Theoretical study of microscopic solvation of LiCl in water clusters: LiCl(H2O)n (n=1–4) Chemical Physics Letters. 319: 679-686. DOI: 10.1016/S0009-2614(00)00169-X |
0.352 |
|
2000 |
Binning RC, Liao, Cabrera CR, Ishikawa Y, Iddir H, Liu R, Smotkin ES, Aldykiewicz AJ, Myers DJ. Density functional calculations on CO attached to Pt{sub n}Ru{sub (10{minus}n)} (n = 6--10) clusters International Journal of Quantum Chemistry. 77. DOI: 10.1002/(Sici)1097-461X(2000)77:2<589::Aid-Qua11>3.3.Co;2-5 |
0.329 |
|
2000 |
Binning RC, Liao M, Cabrera CR, Ishikawa Y, Iddir H, Liu R, Smotkin ES, Aldykiewicz AJ, Myers DJ. Density functional calculations on CO attached to PtnRu(10−n) (n = 6–10) clusters International Journal of Quantum Chemistry. 77: 589-598. DOI: 10.1002/(Sici)1097-461X(2000)77:2<589::Aid-Qua11>3.0.Co;2-E |
0.312 |
|
2000 |
Ishikawa Y, Vilkas MJ, Koc K. Relativistic multireference Mller-Plesset perturbation theory calculations for siliconlike ions International Journal of Quantum Chemistry. 77: 433-445. DOI: 10.1002/(Sici)1097-461X(2000)77:1<433::Aid-Qua43>3.0.Co;2-S |
0.39 |
|
1999 |
Vilkas MJ, Ishikawa Y, Koc K. Relativistic multireference many-body perturbation theory for quasidegenerate systems: Energy levels of ions of the oxygen isoelectronic sequence Physical Review A. 60: 2808-2821. DOI: 10.1103/Physreva.60.2808 |
0.4 |
|
1999 |
Bacelo DE, Binning RC, Ishikawa Y. Ab Initio Monte Carlo Simulated Annealing Study Of Hcl(H2O)N (N = 3, 4) Clusters Journal of Physical Chemistry A. 103: 4631-4640. DOI: 10.1021/Jp9843003 |
0.354 |
|
1999 |
Ishikawa Y, Binning RC, Shramek NS. Direct ab initio molecular dynamics study of NO2++(H2O)4→HNO3(H7O3+) Chemical Physics Letters. 313: 341-350. DOI: 10.1016/S0009-2614(99)00790-3 |
0.311 |
|
1999 |
Hada M, Ishikawa Y, Nakatani J, Nakatsuji H. Dirac–Fock calculations of magnetic shielding constants: hydrogen molecule and hydrogen halides Chemical Physics Letters. 310: 342-346. DOI: 10.1016/S0009-2614(99)00780-0 |
0.344 |
|
1998 |
Vilkas MJ, Ishikawa Y, Koc K. Quadratically convergent multiconfiguration Dirac-Fock and multireference relativistic configuration-interaction calculations for many-electron systems Physical Review E. 58: 5096-5110. DOI: 10.1103/Physreve.58.5096 |
0.35 |
|
1998 |
Malli GL, Ishikawa Y. The generator coordinate Dirac–Fock method for open-shell atomic systems The Journal of Chemical Physics. 109: 8759-8763. DOI: 10.1063/1.477545 |
0.373 |
|
1998 |
Eliav E, Shmulyian S, Kaldor U, Ishikawa Y. Transition energies of lanthanum, actinium, and eka-actinium (element 121) Journal of Chemical Physics. 109: 3954-3958. DOI: 10.1063/1.476995 |
0.388 |
|
1998 |
Bacelo D, Ishikawa Y. Comparison of density functional and MP2 geometry optimizations of Na(H2O)n (n = 1–3) clusters Journal of Molecular Structure-Theochem. 425: 87-94. DOI: 10.1016/S0166-1280(97)00132-2 |
0.395 |
|
1998 |
Vilkas MJ, Koc K, Ishikawa Y. Relativistic multireference Møller–Plesset perturbation theory based on multiconfigurational Dirac–Fock reference functions Chemical Physics Letters. 296: 68-76. DOI: 10.1016/S0009-2614(98)00983-X |
0.375 |
|
1998 |
Ishikawa Y, Nakajima T, Hada M, Nakatsuji H. Relativistic theory of the magnetic shielding constant:: a Dirac–Fock finite perturbation study Chemical Physics Letters. 283: 119-124. DOI: 10.1016/S0009-2614(97)01307-9 |
0.368 |
|
1998 |
Vilkas MJ, Ishikawa Y, Koc K. Second‐order multiconfigurational Dirac–Fock calculations on boronlike ions International Journal of Quantum Chemistry. 70: 813-823. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<813::Aid-Qua28>3.0.Co;2-0 |
0.369 |
|
1997 |
Eliav E, Ishikawa Y, Pyykkö P, Kaldor U. Electron affinities of boron, aluminum, gallium, indium, and thallium Physical Review A. 56: 4532-4536. DOI: 10.1103/Physreva.56.4532 |
0.343 |
|
1997 |
Ishikawa Y, Koc K. Relativistic many-body perturbation calculations for open-shell systems Physical Review A. 56: 1295-1304. DOI: 10.1103/Physreva.56.1295 |
0.436 |
|
1997 |
Ravichandran K, Ayala I, Ishikawa Y, Weiner BR. Bimolecular reaction dynamics of thiophosgene with O(3P) atoms Journal of Physical Chemistry A. 101: 8587-8592. DOI: 10.1021/Jp9718820 |
0.342 |
|
1997 |
Ishikawa Y, Koc K, Schwarz WHE. The use of Gaussian spinors in relativistic electronic structure calculations: the effect of the boundary of the finite nucleus of uniform proton charge distribution Chemical Physics. 225: 239-246. DOI: 10.1016/S0301-0104(97)00267-X |
0.355 |
|
1997 |
Vilkas MJ, Koc K, Ishikawa Y. Second-order multiconfigurational Dirac–Fock self-consistent field and multireference configuration interaction calculations on beryllium and beryllium-like Ne6+ Chemical Physics Letters. 280: 167-176. DOI: 10.1016/S0009-2614(97)01050-6 |
0.349 |
|
1997 |
Bacelo DE, Huang SD, Ishikawa Y. The Au(I)Au(I) interaction: Hartree-Fock and Møller-Plesset second-order perturbation theory calculations on [Se5Au2]2− and [Se6Au2]2− complexes Chemical Physics Letters. 277: 215-222. DOI: 10.1016/S0009-2614(97)00914-7 |
0.386 |
|
1997 |
Ishikawa Y, Koc K. Relativistic many‐body perturbation calculations for Zn and Cd and their singly ionized ions International Journal of Quantum Chemistry. 65: 545-554. DOI: 10.1002/(Sici)1097-461X(1997)65:5<545::Aid-Qua19>3.0.Co;2-1 |
0.302 |
|
1996 |
Eliav E, Kaldor U, Ishikawa Y, Pyykkö P. Element 118: The First Rare Gas with an Electron Affinity. Physical Review Letters. 77: 5350-5352. PMID 10062781 DOI: 10.1103/Physrevlett.77.5350 |
0.348 |
|
1996 |
Ishikawa Y, Koc K. Relativistic many-body perturbation theory for general open-shell multiplet states of atoms. Physical Review. A. 53: 3966-3973. PMID 9913359 DOI: 10.1103/Physreva.53.3966 |
0.35 |
|
1996 |
Eliav E, Kaldor U, Ishikawa Y, Seth M, Pyykkö P. Calculated energy levels of thallium and eka-thallium (element 113). Physical Review A. 53: 3926-3933. PMID 9913354 DOI: 10.1103/Physreva.53.3926 |
0.393 |
|
1996 |
Eliav E, Kaldor U, Ishikawa Y. Transition energies of barium and radium by the relativistic coupled-cluster method Physical Review A. 53: 3050-3056. PMID 9913242 DOI: 10.1103/Physreva.53.3050 |
0.364 |
|
1996 |
Muñoz LA, Weiner BR, Ishikawa Y. Conformational potential energy surface of the FSO radical and its isomer FOS in the ground 2A″ state Journal of Molecular Structure: Theochem. 388: 1-6. DOI: 10.1016/S0166-1280(96)80012-1 |
0.376 |
|
1996 |
Koc K, Ishikawa Y, Kagawa T, Kim Y. Relativistic modification of asymptotic configuration interaction in the carbon isoelectronic sequence Chemical Physics Letters. 263: 338-344. DOI: 10.1016/S0009-2614(96)01174-8 |
0.35 |
|
1995 |
Eliav E, Kaldor U, Ishikawa Y. Transition energies of mercury and ekamercury (element 112) by the relativistic coupled-cluster method Physical Review A. 52: 2765-2769. PMID 9912557 DOI: 10.1103/Physreva.52.2765 |
0.375 |
|
1995 |
Eliav E, Kaldor U, Ishikawa Y. Relativistic coupled-cluster method: Intrashell excitations in the f2 shells of Pr+3 and U+4. Physical Review A. 51: 225-230. PMID 9911577 DOI: 10.1103/Physreva.51.225 |
0.321 |
|
1995 |
Ishikawa Y, Binning RC, Sekino H. Stable structures of Na(H2O)n (n = 1–3) clusters by ab initio simulated annealing International Journal of Quantum Chemistry. 56: 669-674. DOI: 10.1002/Qua.560560873 |
0.368 |
|
1994 |
Ishikawa Y, Koc K. Relativistic many-body perturbation theory based on the no-pair Dirac-Coulomb-Breit Hamiltonian: Relativistic correlation energies for the noble-gas sequence through Rn (Z=86), the group-IIB atoms through Hg, and the ions of Ne isoelectronic sequence. Physical Review. A. 50: 4733-4742. PMID 9911470 DOI: 10.1103/Physreva.50.4733 |
0.389 |
|
1994 |
Eliav E, Kaldor U, Ishikawa Y. Ionization potentials and excitation energies of the alkali-metal atoms by the relativistic coupled-cluster method. Physical Review A. 50: 1121-1128. PMID 9911001 DOI: 10.1103/Physreva.50.1121 |
0.412 |
|
1994 |
Eliav E, Kaldor U, Ishikawa Y. Open-shell relativistic coupled-cluster method with Dirac-Fock-Breit wave functions: Energies of the gold atom and its cation. Physical Review A. 49: 1724-1729. PMID 9910422 DOI: 10.1103/Physreva.49.1724 |
0.411 |
|
1994 |
Koc K, Ishikawa Y. Single-Fock-operator method for matrix Dirac-Fock self-consistent-field calculations on open-shell atoms. Physical Review. A. 49: 794-798. PMID 9910302 DOI: 10.1103/Physreva.49.794 |
0.339 |
|
1994 |
Malli GL, Da Silva ABF, Ishikawa Y. Highly accurate relativistic universal Gaussian basis set: Dirac–Fock–Coulomb calculations for atomic systems up to nobelium The Journal of Chemical Physics. 101: 6829-6833. DOI: 10.1063/1.468311 |
0.413 |
|
1994 |
Koc K, Ishikawa Y, Kagawa T. Relativistic Configuration Interaction Calculations For Open-Shell Atomic Systems Chemical Physics Letters. 231: 407-413. DOI: 10.1016/0009-2614(94)01289-X |
0.376 |
|
1994 |
Eliav E, Kaldor U, Ishikawa Y. Relativistic coupled cluster method based on Dirac—Coulomb—Breit wavefunctions. Ground state energies of atoms with two to five electrons Chemical Physics Letters. 222: 82-87. DOI: 10.1016/0009-2614(94)00317-3 |
0.435 |
|
1994 |
Keshari V, Ishikawa Y. Ab initio Monte Carlo simulated annealing method Chemical Physics Letters. 218: 406-412. DOI: 10.1016/0009-2614(94)00025-5 |
0.316 |
|
1994 |
Keshari V, Ishikawa Y. First-Principles Monte Carlo simulated annealing study of the structures and properties of hydrogenated lithium clusters International Journal of Quantum Chemistry. 52: 541-551. DOI: 10.1002/Qua.560520848 |
0.32 |
|
1994 |
Eliav E, Kaldor U, Ishikawa Y. Relativistic coupled cluster theory based on the no-pair dirac–coulomb–breit hamiltonian: Relativistic pair correlation energies of the xe atom International Journal of Quantum Chemistry. 52: 205-214. DOI: 10.1002/Qua.560520821 |
0.382 |
|
1993 |
Ishikawa Y, Quiney HM. Relativistic many-body perturbation-theory calculations based on Dirac-Fock-Breit wave functions. Physical Review A. 47: 1732-1739. PMID 9909124 DOI: 10.1103/Physreva.47.1732 |
0.386 |
|
1993 |
Malli GL, Da Silva AB, Ishikawa Y. Universal Gaussian basis set for accurate ab initio /P relat ivistic Dirac-Fock calculations. Physical Review. A. 47: 143-146. PMID 9908905 DOI: 10.1103/Physreva.47.143 |
0.427 |
|
1993 |
Silva AD, Malli G, Ishikawa Y. Accurate ab initio relativistic Dirac–Fock–Coulomb calculations on heavy atoms using universal Gaussian basis set Canadian Journal of Chemistry. 71: 1713-1715. DOI: 10.1139/V93-213 |
0.411 |
|
1993 |
Ishikawa Y. Ab initio study of the structure and ionization potential of aluminum-sodium bimetallic cluster, Al2Na Chemical Physics Letters. 213: 527-530. DOI: 10.1016/0009-2614(93)89154-A |
0.364 |
|
1993 |
Da Silva A, Malli G, Ishikawa Y. Relativistic universal Gaussian basis set for Dirac—Fock—Coulomb and Dirac—Fock—Breit SCF calculations on heavy atoms Chemical Physics Letters. 203: 201-204. DOI: 10.1016/0009-2614(93)85387-4 |
0.411 |
|
1993 |
Malli G, Da Silva A, Ishikawa Y. Universal Gaussian basis set for relativistic calculations on atoms and molecules Chemical Physics Letters. 201: 37-40. DOI: 10.1016/0009-2614(93)85030-R |
0.432 |
|
1992 |
Malli GL, Silva ABFD, Ishikawa Y. Universal Gaussian basis functions in relativistic quantum chemistry: atomic Dirac–Fock–Coulomb and Dirac–Fock–Breit calculations Canadian Journal of Chemistry. 70: 1822-1826. DOI: 10.1139/V92-225 |
0.417 |
|
1992 |
Ishikawa Y. Relativistic many-body perturbation theory using discrete basis expansion method: accurate representation of second-order energy of Xe atom with contracted well-tempered Gaussian basis set Canadian Journal of Chemistry. 70: 399-403. DOI: 10.1139/V92-057 |
0.408 |
|
1992 |
Ishikawa Y, Malli GL, Pyper N. Ab initio Dirac—Fock self-consistent field calculations for open-shell heavy-atom systems: bonding in AuH+ ion Chemical Physics Letters. 194: 481-484. DOI: 10.1016/0009-2614(92)86087-X |
0.39 |
|
1992 |
Ishikawa Y, Malli GL, Jim Stacey A. Matrix Dirac—Fock—Breit SCF calculations on heavy atoms using geometric basis sets of Gaussian functions Chemical Physics Letters. 188: 145-148. DOI: 10.1016/0009-2614(92)85104-I |
0.398 |
|
1992 |
Ishikawa Y. Relativistic many‐body perturbation theory using the discrete basis expansion method: Analysis of relativistic pair correlation energies of the Xe atom International Journal of Quantum Chemistry. 44: 127-135. DOI: 10.1002/Qua.560440812 |
0.411 |
|
1991 |
Ishikawa Y, Quiney HM, Malli GL. Dirac-Fock-Breit self-consistent-field method: Gaussian basis-set calculations on many-electron atoms Physical Review A. 43: 3270-3278. PMID 9905409 DOI: 10.1103/Physreva.43.3270 |
0.361 |
|
1991 |
Koga T, Horiguchi T, Ishikawa Y. One-electron diatomics in momentum space. VII. Nonvariational approach to ground and excited states of heteronuclear systems Journal of Chemical Physics. 95: 1086-1089. DOI: 10.1063/1.461137 |
0.324 |
|
1991 |
Ishikawa Y. Relativistic many-body perturbation-theory calculations on Kr: accurate representation of second- and third-order energies with contracted Gaussian basis set Chemical Physics Letters. 179: 291-296. DOI: 10.1016/0009-2614(91)87040-I |
0.394 |
|
1991 |
Ishikawa Y. Effects of basis set contraction on relativistic and Breit interaction energies International Journal of Quantum Chemistry. 40: 113-120. DOI: 10.1002/Qua.560400814 |
0.414 |
|
1990 |
Ishikawa Y. Relativistic Dirac-Fock and many-body perturbation calculations on He, He-like ions, Ne, and Ar Physical Review A. 42: 1142-1150. DOI: 10.1103/Physreva.42.1142 |
0.368 |
|
1990 |
Ishikawa Y, Sekino H. Variational bounds in dirac—fock basis set expansion calculations Chemical Physics Letters. 165: 243-249. DOI: 10.1016/0009-2614(90)85437-H |
0.379 |
|
1990 |
Ishikawa Y, Sekino H, Binning RC. Effects of basis set contraction in relativistic calculations on neon, argon, and germanium Chemical Physics Letters. 165: 237-242. DOI: 10.1016/0009-2614(90)85436-G |
0.42 |
|
1990 |
Ishikawa Y. Dirac-Fock Gaussian basis calculations: Inclusion of the Breit interaction in the self-consistent field procedure Chemical Physics Letters. 166: 321-325. DOI: 10.1016/0009-2614(90)80037-E |
0.403 |
|
1990 |
Ishikawa Y. Atomic Dirac–Fock–Breit self-consistent field calculations International Journal of Quantum Chemistry. 38: 383-391. DOI: 10.1002/Qua.560382438 |
0.382 |
|
1989 |
Ishikawa Y, Sekino H, Binning RC. Relativistic many-body perturbation theory calculations on Be, Ne6+, Ar14+ AND Ne Chemical Physics Letters. 160: 206-211. DOI: 10.1016/0009-2614(89)87583-9 |
0.398 |
|
1988 |
Ishikawa Y, Rodríguez W, Torres S, Alexander SA. Solving the Dirac equation in momentum space: A numerical study of H2+ Chemical Physics Letters. 143: 289-292. DOI: 10.1016/0009-2614(88)87382-2 |
0.317 |
|
1988 |
Ishikawa Y, Sekino H. On the use of gaussian‐type functions in dirac–fock basis set expansion calculations International Journal of Quantum Chemistry. 34: 457-463. DOI: 10.1002/Qua.560340849 |
0.399 |
|
1988 |
Rodríguez W, Ishikawa Y. Fully numerical solutions of the hartree‐fock equation in momentum space: A numerical study of the He atom and H +2 ion International Journal of Quantum Chemistry. 34: 445-456. DOI: 10.1002/Qua.560340848 |
0.358 |
|
1987 |
Ishikawa Y, Quiney HM. On the use of an extended nucleus in Dirac–Fock Gaussian basis set calculations International Journal of Quantum Chemistry. 32: 523-532. DOI: 10.1002/Qua.560320751 |
0.313 |
|
1987 |
Ishikawa Y, Rodriguez W, Alexander SA. Solution of the integral Dirac equation in momentum space International Journal of Quantum Chemistry. 32: 417-423. DOI: 10.1002/Qua.560320741 |
0.303 |
|
1987 |
Ishikawa Y, Baretty R, Binning RC. Gaussian basis for the Dirac‐Fock discrete basis expansion calculations International Journal of Quantum Chemistry. 28: 285-295. DOI: 10.1002/Qua.560280828 |
0.361 |
|
1986 |
Baretty R, Ishikawa Y, Nieves JF. Momentum space approach to the relativistic atomic structure calculations International Journal of Quantum Chemistry. 30: 109-117. DOI: 10.1002/Qua.560300713 |
0.308 |
|
1985 |
Ishikawa Y, Baretty R, Binning RC. Relativistic Gaussian basis set calculations on one-electron ions with a nucleus of finite extent Chemical Physics Letters. 121: 130-133. DOI: 10.1016/0009-2614(85)87169-4 |
0.374 |
|
1985 |
Ishikawa Y, Baretty R, Sando KM. Expansion calculations with the dirac Hamiltonian: 1S12 and 2P12 states of hydrogenic systems Chemical Physics Letters. 117: 444-450. DOI: 10.1016/0009-2614(85)80280-3 |
0.338 |
|
1984 |
Ishikawa Y, Binning RC, Sando KM. Features of the energy surface in Dirac-Fock discrete basis description as applied to the Be atom Chemical Physics Letters. 105: 189-193. DOI: 10.1016/0009-2614(84)85647-X |
0.365 |
|
1984 |
Ishikawa Y. Basis‐set expansion calculations with the Dirac Hamiltonian International Journal of Quantum Chemistry. 26: 375-383. DOI: 10.1002/Qua.560260835 |
0.37 |
|
1983 |
Ishikawa Y, Binning RC, Sando KM. Dirac-Fock discrete-basis calculations on the beryllium atom Chemical Physics Letters. 101: 111-114. DOI: 10.1016/0009-2614(83)80314-5 |
0.428 |
|
1981 |
Ishikawa Y, Malli G. Effective core potentials for fully relativistic Dirac–Fock calculations The Journal of Chemical Physics. 75: 5423-5431. DOI: 10.1063/1.441943 |
0.406 |
|
1981 |
Davidson ER, Ishikawa Y, Malli GL. Validity of first-order perturbation theory for relativistic energy corrections Chemical Physics Letters. 84: 226-227. DOI: 10.1016/0009-2614(81)80331-4 |
0.345 |
|
1981 |
Ishikawa Y, Malli G. Effective hamiltonian in the Dirac-Fock-Roothaan SCF theory Chemical Physics Letters. 80: 111-113. DOI: 10.1016/0009-2614(81)80068-1 |
0.398 |
|
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