| Year |
Citation |
Score |
| 2016 |
Iwata S, Akase D, Aida M, Xantheas SS. Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24. Physical Chemistry Chemical Physics : Pccp. PMID 27385069 DOI: 10.1039/C6Cp02487D |
0.351 |
|
| 2015 |
Ishibashi C, Iwata S, Onoe K, Matsuzawa H. Hydrogen-Bonded Networks in Hydride Water Clusters, F(-)(H2O)n and Cl(-)(H2O)n: Cubic Form of F(-)(H2O)7 and Cl(-)(H2O)7. The Journal of Physical Chemistry. A. 119: 10241-53. PMID 26371716 DOI: 10.1021/Acs.Jpca.5B07244 |
0.325 |
|
| 2014 |
Iwata S. Analysis of hydrogen bond energies and hydrogen bonded networks in water clusters (H2O)20 and (H2O)25 using the charge-transfer and dispersion terms. Physical Chemistry Chemical Physics : Pccp. 16: 11310-7. PMID 24800849 DOI: 10.1039/C4Cp01204F |
0.331 |
|
| 2014 |
Kubo S, Saito K, Hirata S, Fukuyo S, Yamaoka K, Sawamukai N, Nawata M, Iwata S, Mizuno Y, Tanaka Y. Abatacept inhibits radiographic progression in patients with rheumatoid arthritis: a retrospective analysis of 6 months of abatacept treatment in routine clinical practice. The ALTAIR study. Modern Rheumatology / the Japan Rheumatism Association. 24: 42-51. PMID 24261758 DOI: 10.3109/14397595.2013.854051 |
0.371 |
|
| 2014 |
Fukuyo S, Saito K, Yamaoka K, Sawamukai N, Hirata S, Nawata M, Iwata S, Tanaka Y. Efficacy and safety of reducing duration of infliximab infusion. Modern Rheumatology / the Japan Rheumatism Association. 24: 275-80. PMID 24251990 DOI: 10.3109/14397595.2013.843747 |
0.36 |
|
| 2014 |
Kawasaki Y, Ishibashi C, Iwata S, Matsuzawa H. Quantum chemical studies of M(BH4)n and M(AlH4)n, M=Li and Na Computational and Theoretical Chemistry. 1043: 79-89. DOI: 10.1016/J.Comptc.2014.05.016 |
0.323 |
|
| 2013 |
Hirata S, Saito K, Kubo S, Fukuyo S, Mizuno Y, Iwata S, Nawata M, Sawamukai N, Nakano K, Yamaoka K, Tanaka Y. Discontinuation of adalimumab after attaining disease activity score 28-erythrocyte sedimentation rate remission in patients with rheumatoid arthritis (HONOR study): an observational study. Arthritis Research & Therapy. 15: R135. PMID 24286472 DOI: 10.1186/ar4315 |
0.369 |
|
| 2013 |
Iwata S, Bandyopadhyay P, Xantheas SS. Cooperative roles of charge transfer and dispersion terms in hydrogen-bonded networks of (H2O)n, n = 6, 11, and 16. The Journal of Physical Chemistry. A. 117: 6641-51. PMID 23805893 DOI: 10.1021/Jp403837Z |
0.598 |
|
| 2012 |
Shirai S, Iwata S, Maegawa Y, Tani T, Inagaki S. Ab initio molecular orbital study on the excited states of [2.2]-, [3.3]-, and siloxane-bridged paracyclophanes. The Journal of Physical Chemistry. A. 116: 10194-202. PMID 23046357 DOI: 10.1021/Jp306416X |
0.374 |
|
| 2012 |
Iwata S, Saito K, Hirata S, Tanaka Y. Phenotypic changes of lymphocyte in a patient with IgG4-related disease after corticosteroid therapy. Annals of the Rheumatic Diseases. 71: 2058-9. PMID 22791745 DOI: 10.1136/annrheumdis-2012-201657 |
0.348 |
|
| 2012 |
Iwata S. Energy analysis of weak electron-donor-acceptor complexes and water clusters with the perturbation theory based on the locally projected molecular orbitals: charge-transfer and dispersion terms. Physical Chemistry Chemical Physics : Pccp. 14: 7787-94. PMID 22547259 DOI: 10.1039/C2Cp40217C |
0.375 |
|
| 2011 |
Iwata S. Dispersion energy evaluated by using locally projected occupied and excited molecular orbitals for molecular interaction. The Journal of Chemical Physics. 135: 094101. PMID 21913747 DOI: 10.1063/1.3629777 |
0.384 |
|
| 2010 |
Iwata S. Absolutely local occupied and excited molecular orbitals in the third-order single excitation perturbation theory for molecular interaction. The Journal of Physical Chemistry. A. 114: 8697-704. PMID 20429565 DOI: 10.1021/Jp101483T |
0.37 |
|
| 2008 |
Iwata S. Absolutely local excited orbitals in the higher order perturbation expansion for the molecular interaction. The Journal of Physical Chemistry. B. 112: 16104-9. PMID 19367996 DOI: 10.1021/Jp805883C |
0.399 |
|
| 2007 |
Iwata S. Theoretical studies of group 1 metal complexes with hydrogen fluoride, M(HF)n, M = Li, Na, and K: a new type of electrides. The Journal of Physical Chemistry. A. 111: 7499-503. PMID 17579374 DOI: 10.1021/Jp071422Z |
0.326 |
|
| 2006 |
Rodriguez-Garcia V, Yagi K, Hirao K, Iwata S, Hirata S. Franck-Condon factors based on anharmonic vibrational wave functions of polyatomic molecules. The Journal of Chemical Physics. 125: 014109. PMID 16863289 DOI: 10.1063/1.2209676 |
0.572 |
|
| 2006 |
Iwata S. Locally projected molecular orbital theory for molecular interaction with a high-spin open-shell molecule Journal of Theoretical and Computational Chemistry. 5: 819-833. DOI: 10.1142/S0219633606002696 |
0.306 |
|
| 2006 |
Iwata S. The single excitation perturbation expansion theory based on the locally projected molecular orbitals for molecular interaction: Comparison with the counterpoise corrected energy Chemical Physics Letters. 431: 204-209. DOI: 10.1016/J.Cplett.2006.09.064 |
0.397 |
|
| 2006 |
Iwata S, Nagata T. Perturbation Expansion Theory Corrected From Basis Set Superposition Error II. Charge-transfer, pair correlation and dispersion terms Theoretical Chemistry Accounts. 117: 137-144. DOI: 10.1007/S00214-006-0157-6 |
0.36 |
|
| 2005 |
Iwata S, Chen F. Theoretical study of photoabsorption cross-section of water cluster anions: the size and isomer dependences Journal of Electron Spectroscopy and Related Phenomena. 142: 277-281. DOI: 10.1016/J.Elspec.2004.09.007 |
0.391 |
|
| 2004 |
Nagata T, Iwata S. Perturbation expansion theory corrected from basis set superposition error. I. Locally projected excited orbitals and single excitations. The Journal of Chemical Physics. 120: 3555-62. PMID 15268517 DOI: 10.1063/1.1630952 |
0.349 |
|
| 2004 |
Nagata T, Aoyagi M, Iwata S. Noble gas clusters doped with a metal ion I: Ab initio studies of Na+Arn Journal of Physical Chemistry A. 108: 683-690. DOI: 10.1021/Jp036443H |
0.322 |
|
| 2003 |
Takahashi O, Joyabu M, Mitani M, Saito K, Iwata S. Theoretical studies on the molecular dependence of bond dissociation after core excitations II: CH(3)CO(CH(20)(n)CN, n = 0-3. Journal of Computational Chemistry. 24: 1329-35. PMID 12827674 DOI: 10.1002/Jcc.10284 |
0.391 |
|
| 2003 |
Mitani M, Takahashi O, Saito K, Iwata S. Theoretical molecular Auger spectra with electron population analysis Journal of Electron Spectroscopy and Related Phenomena. 128: 103-117. DOI: 10.1016/S0368-2048(02)00270-0 |
0.403 |
|
| 2002 |
Ikegami T, Iwata S. Spectral density calculation by using the Chebyshev expansion. Journal of Computational Chemistry. 23: 310-8. PMID 11924744 DOI: 10.1002/Jcc.10010 |
0.342 |
|
| 2002 |
Nonose S, Taguchi T, Chen F, Iwata S, Fuke K. Electronic Spectra and Structures of Solvated NH4 Radicals, NH4(NH3)n (n = 1−8) Journal of Physical Chemistry A. 106: 5242-5248. DOI: 10.1021/Jp0145457 |
0.354 |
|
| 2002 |
Hashimoto T, Iwata S. Theoretical study on the weakly-bound complexes in the reactions of hydroxyl radical with saturated hydrocarbons (methane, ethane, and propane) Journal of Physical Chemistry A. 106: 2652-2658. DOI: 10.1021/Jp0131572 |
0.341 |
|
| 2002 |
Okada K, Aoyagi M, Iwata S. Accurate evaluation of Einstein's A and B coefficients of rovibrational transitions for carbon monoxide: spectral simulation of Δv=2 rovibrational transitions in the solar atmosphere observed by a satellite Journal of Quantitative Spectroscopy & Radiative Transfer. 72: 813-825. DOI: 10.1016/S0022-4073(01)00160-1 |
0.334 |
|
| 2002 |
Takano K, Hosoya H, Iwata S. Analysis of the oxidation state and oxidation number by ab initio molecular orbital calculations: chlorine and sulfur compounds Cheminform. 13. DOI: 10.1002/Chin.198242003 |
0.307 |
|
| 2001 |
Nagata T, Takahashi O, Saito K, Iwata S. Basis set superposition error free self-consistent field method for molecular interaction in multi-component systems : Projection operator formalism Journal of Chemical Physics. 115: 3553-3560. DOI: 10.1063/1.1388039 |
0.315 |
|
| 2001 |
Wang W, Tang H, Fan K, Iwata S. A theoretical study of Si4H2 cluster with ab initio and density functional theory methods Journal of Chemical Physics. 114: 1278-1285. DOI: 10.1063/1.1316032 |
0.369 |
|
| 2001 |
Takahashi O, Mitani M, Joyabu M, Saito K, Iwata S. Theoretical Studies on the Molecular Dependence of the Bond Dissociation after the Core Excitations. : CH3OCO(CH2)nCN, n=0,1,2 Journal of Electron Spectroscopy and Related Phenomena. 120: 137-148. DOI: 10.1016/S0368-2048(01)00318-8 |
0.378 |
|
| 2001 |
Sako EO, Kanameda Y, Ikenaga E, Mitani M, Takahashi O, Saito K, Iwata S, Wada S, Sekitani T, Tanaka K. Mechanism of ion desorption reaction of PMMA thin film induced by core excitation Journal of Electron Spectroscopy and Related Phenomena. 114: 591-596. DOI: 10.1016/S0368-2048(00)00397-2 |
0.42 |
|
| 2000 |
Wójcik MJ, Nakamura H, Iwata S, Tatara W. Theoretical study of multidimensional proton tunneling in the excited state of tropolone Journal of Chemical Physics. 112: 6322-6328. DOI: 10.1063/1.481193 |
0.374 |
|
| 2000 |
Tsurusawa T, Iwata S. Electron-hydrogen bonds and OH harmonic frequency shifts in water cluster complexes with a group 1 metal atom, M(H2O)n (M=Li and Na) Journal of Chemical Physics. 112: 5705-5710. DOI: 10.1063/1.481144 |
0.375 |
|
| 2000 |
Okada K, Iwata S. Accurate potential energy and transition dipole moment curves for several electronic states of CO Journal of Chemical Physics. 112: 1804-1808. DOI: 10.1063/1.480743 |
0.403 |
|
| 2000 |
Okada K, Iwata S. Ab initio MO study of the A, D and third 2Π states of CO+ Journal of Electron Spectroscopy and Related Phenomena. 108: 225-234. DOI: 10.1016/S0368-2048(00)00133-X |
0.396 |
|
| 1999 |
BANDYOPADHYAY P, TEN-NO S, IWATA S. Ab initioMonte Carlo simulation using multicanonical algorithm: temperature dependence of the average structure of water dimer Molecular Physics. 96: 349-358. DOI: 10.1080/00268979909482968 |
0.556 |
|
| 1999 |
Saeki M, Tsukuda T, Iwata S, Nagata T. Electronic isomers in [(CO2)nROH]− cluster anions. II. Ab initio calculations Journal of Chemical Physics. 111: 6333-6344. DOI: 10.1063/1.479964 |
0.335 |
|
| 1999 |
Watanabe N, Ten-no S, Pal S, Iwata S, Udagawa Y. Size-extensive calculations of static structure factors from the coupled cluster singles and doubles model The Journal of Chemical Physics. 111: 827-832. DOI: 10.1063/1.479369 |
0.313 |
|
| 1999 |
Ikegami T, Iwata S. Photodissociation dynamics of argon cluster ions Journal of Chemical Physics. 110: 8492-8500. DOI: 10.1063/1.478855 |
0.362 |
|
| 1999 |
Bandyopadhyay P, Ten-no S, Iwata S. Structures and Photoelectron Spectroscopies of Si2C2-Studied with ab Initio Multicanonical Monte Carlo Simulation The Journal of Physical Chemistry A. 103: 6442-6447. DOI: 10.1021/Jp991004X |
0.549 |
|
| 1999 |
Tsurusawa T, Iwata S. Theoretical Studies Of Structures And Ionization Threshold Energies Of Water Cluster Complexes With A Group 1 Metal, M(H2O)N (M = Li And Na) Journal of Physical Chemistry A. 103: 6134-6141. DOI: 10.1021/Jp990621I |
0.304 |
|
| 1999 |
Hrušák J, Herman Z, Iwata S. Heat of formation of the SiF2++ dication: a theoretical prediction International Journal of Mass Spectrometry. 192: 165-171. DOI: 10.1016/S1387-3806(99)00086-X |
0.358 |
|
| 1999 |
Suzuki T, Ikegami T, Fujii M, Iwata S. Theoretical studies of internal methyl rotations in m-xylene: comparison of Franck–Condon factors with the experimental spectra Journal of Molecular Structure-Theochem. 461: 79-90. DOI: 10.1016/S0166-1280(98)00435-7 |
0.357 |
|
| 1999 |
Tsurusawa T, Iwata S. Theoretical studies of the water-cluster anions containing the OH{e}HO structure: energies and harmonic frequencies Chemical Physics Letters. 315: 433-440. DOI: 10.1016/S0009-2614(99)01279-8 |
0.423 |
|
| 1999 |
Satoh K, Iwata S. Theoretical Study Of Vibrational Spectra For Cl-(H2O) : Temperature Dependence And The Influence Of Arn (N = 1-3) Chemical Physics Letters. 312: 522-529. DOI: 10.1016/S0009-2614(99)00980-X |
0.344 |
|
| 1999 |
Wang W, Tang H, Fan K, Iwata S. Theoretical studies of [Si4NO]− clusters with ab initio MO and DFT methods Chemical Physics Letters. 310: 313-322. DOI: 10.1016/S0009-2614(99)00773-3 |
0.315 |
|
| 1999 |
Nachtigall P, Hrušák J, Bludský O, Iwata S. Investigation of the potential energy surfaces for the ground X̃1A1 and excited C̃1B2 electronic states of SO2 Chemical Physics Letters. 303: 441-446. DOI: 10.1016/S0009-2614(99)00240-7 |
0.393 |
|
| 1999 |
Ten-no S, Iwata S, Pal S, Mukherjee D. Generalization of coupled-cluster response theory to multireference expansion spaces: application of the coupled-cluster singles and doubles effective Hamiltonian Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 102: 252-261. DOI: 10.1007/S002140050496 |
0.344 |
|
| 1998 |
Wada A, Kanamori H, Iwata S. Ab initio MO studies of van der Waals molecule (N2)2: Potential energy surface and internal motion Journal of Chemical Physics. 109: 9434-9438. DOI: 10.1063/1.477605 |
0.353 |
|
| 1998 |
Hirata S, Iwata S. Analytical energy gradients in second-order Møller-Plesset perturbation theory for extended systems Journal of Chemical Physics. 109: 4147-4155. DOI: 10.1063/1.477020 |
0.535 |
|
| 1998 |
Watanabe H, Iwata S. Theoretical assignments of the photo-dissociation excitation spectra of Mg+ ion complexes with water clusters: Multi-reference CI studies Journal of Chemical Physics. 108: 10078-10083. DOI: 10.1063/1.476468 |
0.413 |
|
| 1998 |
Hirata S, Iwata S. Density functional crystal orbital study on the normal vibrations and phonon dispersion curves of all-trans polyethylene The Journal of Chemical Physics. 108: 7901-7908. DOI: 10.1063/1.476227 |
0.53 |
|
| 1998 |
Kishi R, Negishi Y, Kawamata H, Iwata S, Nakajima A, Kaya K. Geometric and electronic structures of fluorine bound silicon clusters Journal of Chemical Physics. 108: 8039-8058. DOI: 10.1063/1.475343 |
0.409 |
|
| 1998 |
Hirata S, Iwata S. Ab Initio Hartree−Fock and Density Functional Studies on the Structures and Vibrations of an Infinite Hydrogen Fluoride Polymer The Journal of Physical Chemistry A. 102: 8426-8436. DOI: 10.1021/Jp982383H |
0.559 |
|
| 1998 |
and AF, Iwata S. Variety Of Fe, N, O Isomers. A Theoretical Study Journal of Physical Chemistry A. 102: 3618-3624. DOI: 10.1021/Jp980523H |
0.371 |
|
| 1998 |
Zhan C, Iwata S. Ab initio MO and density functional studies on the vibrational spectra of 1,4-benzoquinone, and its anion and dianion Chemical Physics. 230: 45-56. DOI: 10.1016/S0301-0104(98)00007-X |
0.326 |
|
| 1998 |
Hirata S, Iwata S. Analytical second derivatives in ab initio Hartree–Fock crystal orbital theory of polymers Journal of Molecular Structure: Theochem. 451: 121-134. DOI: 10.1016/S0166-1280(98)00165-1 |
0.525 |
|
| 1998 |
Tsurusawa T, Iwata S. Dipole-bound and interior electrons in water dimer and trimer anions: ab initio MO studies Chemical Physics Letters. 287: 553-562. DOI: 10.1016/S0009-2614(98)00233-4 |
0.372 |
|
| 1997 |
Li Y, Iwata S. Theoretical Study of Cyclic Isomers of HNOx (x = 2—6) Bulletin of the Chemical Society of Japan. 70: 79-88. DOI: 10.1246/Bcsj.70.79 |
0.332 |
|
| 1997 |
Hrušák J, Schröder D, Schwarz H, Iwata S. Comparative Ab initio and Hybrid DFT Studies Relevant to an Experimental Investigation of Neutral and Cationic [Si, P, H2] Isomers Bulletin of the Chemical Society of Japan. 70: 777-787. DOI: 10.1246/Bcsj.70.777 |
0.35 |
|
| 1997 |
Watanabe H, Asada T, Iwata S. Theoretical Prediction of Intracluster Reactions of B+(H2O)2 and B+(H2O)3: Hybrid Procedure of Ab Initio MO Calculations and Monte Carlo Samplings Bulletin of the Chemical Society of Japan. 70: 2619-2629. DOI: 10.1246/Bcsj.70.2619 |
0.345 |
|
| 1997 |
Ornellas FR, Iwata S. Ab Initio Study of the Isomers: HNNSi, HSiNN, and HNSiN. Bulletin of the Chemical Society of Japan. 70: 2057-2062. DOI: 10.1246/Bcsj.70.2057 |
0.358 |
|
| 1997 |
Gomei M, Kishi R, Nakajima A, Iwata S, Kaya K. Ab initio MO studies of neutral and anionic SiCn clusters (n=2-5) Journal of Chemical Physics. 107: 10051-10061. DOI: 10.1063/1.475309 |
0.452 |
|
| 1997 |
Zhan C, Iwata S. Ab initio studies on the structures, vertical electron detachment energies, and stabilities of CnP− clusters Journal of Chemical Physics. 107: 7323-7330. DOI: 10.1063/1.474971 |
0.379 |
|
| 1997 |
Ornellas FR, Iwata S. A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule SiB Journal of Chemical Physics. 107: 6782-6794. DOI: 10.1063/1.474920 |
0.43 |
|
| 1997 |
Kishi R, Iwata S, Nakajima A, Kaya K. Geometric and electronic structures of silicon–sodium binary clusters. I. Ionization energy of SinNam Journal of Chemical Physics. 107: 3056-3070. DOI: 10.1063/1.474661 |
0.359 |
|
| 1997 |
Kishi R, Kawamata H, Negishi Y, Iwata S, Nakajima A, Kaya K. Geometric And Electronic Structures Of Silicon-Sodium Binary Clusters. Ii.Photoelectron Spectroscopy Of Sinnam- Cluster Anions Journal of Chemical Physics. 107: 10029-10043. DOI: 10.1063/1.474160 |
0.399 |
|
| 1997 |
Hirata S, Iwata S. Density functional crystal orbital study on the normal vibrations of polyacetylene and polymethineimine The Journal of Chemical Physics. 107: 10075-10084. DOI: 10.1063/1.474144 |
0.525 |
|
| 1997 |
Hrušák J, Ten-no S, Iwata S. Quadratic configuration interaction versus coupled-cluster theory: Importance of orbital relaxation phenomena in CuH and CuF Journal of Chemical Physics. 106: 7185-7192. DOI: 10.1063/1.473680 |
0.333 |
|
| 1997 |
Hrušák J, Iwata S. The vibrational spectrum of H2O2+⋅ radical cation: An illustration of symmetry breaking Journal of Chemical Physics. 106: 4877-4888. DOI: 10.1063/1.473537 |
0.393 |
|
| 1997 |
Ornellas FR, Ueno LT, Iwata S. Diazasiline (SiNN): Is there a conflict between experiment and theory? Journal of Chemical Physics. 106: 151-157. DOI: 10.1063/1.473040 |
0.35 |
|
| 1997 |
Krishnamurty S, Roy RK, Vetrivel R, Iwata S, Pal S. The Local Hard−Soft Acid−Base Principle: A Critical Study The Journal of Physical Chemistry A. 101: 7253-7257. DOI: 10.1021/Jp970431C |
0.322 |
|
| 1997 |
Park JK, Iwata S. Ab Initio Study of Photochemical Reactions of Ammonia Dimer Systems Journal of Physical Chemistry A. 101: 3613-3618. DOI: 10.1021/Jp964000Q |
0.372 |
|
| 1997 |
Zhao X, Imahori H, Zhan C, Sakata Y, Iwata S, Kitagawa T. Resonance Raman and FTIR Spectra of Isotope-Labeled Reduced 1,4-Benzoquinone and Its Protonated Forms in Solutions The Journal of Physical Chemistry A. 101: 622-631. DOI: 10.1021/Jp962009M |
0.302 |
|
| 1997 |
Zhan C, Iwata S. Ab Initio Studies on the Structures, Vertical Electron Detachment Energies, and Fragmentation Energies of CnB-Clusters Journal of Physical Chemistry A. 101: 591-596. DOI: 10.1021/Jp9619494 |
0.356 |
|
| 1997 |
Watanabe H, Iwata S. Molecular Orbital Studies of the Structures and Reactions of a Singly Charged Calcium Ion with Water Clusters, Ca+(H2O)n Journal of Physical Chemistry A. 101: 487-496. DOI: 10.1021/Jp9617985 |
0.309 |
|
| 1997 |
Li Y, Iwata S. Theoretical study of cyclic radicals NOx (x = 2–6) Chemical Physics. 219: 209-220. DOI: 10.1016/S0301-0104(97)00085-2 |
0.34 |
|
| 1997 |
Saeki M, Zhu L, Tsukuda T, Iwata S, Nagata T. Photoabsorption and photofragmentation studies of acetyloxy iodide anion CH3CO2I Chemical Physics Letters. 280: 348-352. DOI: 10.1016/S0009-2614(97)01140-8 |
0.354 |
|
| 1997 |
Wang W, Fan K, Iwata S. Ab initio MO studies of Si4NO+ clusters Chemical Physics Letters. 273: 337-344. DOI: 10.1016/S0009-2614(97)00579-4 |
0.361 |
|
| 1997 |
Li Y, Iwata S. Potential energy surfaces of the ground and low-lying states of HCCS and NCS: CASSCF, MRCI and CCSD(T) studies Chemical Physics Letters. 273: 91-97. DOI: 10.1016/S0009-2614(97)00500-9 |
0.348 |
|
| 1997 |
Fiedler A, Iwata S. Portrait of diatomic FeN. A theoretical study Chemical Physics Letters. 271: 143-151. DOI: 10.1016/S0009-2614(97)00444-2 |
0.389 |
|
| 1996 |
Nakajima A, Taguwa T, Nakao K, Hoshino K, Iwata S, Kaya K. Photoelectron Spectroscopy Of Binary-Metal Cluster Anions Containing Sulfur Atom Surface Review and Letters. 3: 417-421. DOI: 10.1142/S0218625X96000759 |
0.404 |
|
| 1996 |
Nakajima A, Taguwa T, Nakao K, Gomei M, Kishi R, Iwata S, Kaya K. Photoelectron Spectroscopy Of Silicon–Carbon Cluster Anions Surface Review and Letters. 3: 411-415. DOI: 10.1142/S0218625X96000747 |
0.331 |
|
| 1996 |
Kishi R, Nakajima A, Iwata S, Kaya K. ELECTRON-CORRELATION EFFECTS ON GEOMETRICAL AND ELECTRONIC STRUCTURES OF SinNa CLUSTERS Surface Review and Letters. 3: 365-369. DOI: 10.1142/S0218625X96000668 |
0.37 |
|
| 1996 |
Zhan C, Iwata S. Erratum: Ab initio studies on the structures, vertical electron detachment energies and fragmentation energies of CnN− clusters [J. Chem. Phys. 104, 9058 (1996)] Journal of Chemical Physics. 105: 6578-6578. DOI: 10.1063/1.473020 |
0.362 |
|
| 1996 |
Ikegami T, Iwata S. Size Dependence Of The Photoabsorption Spectra Of Ar+N, N=4-25 : A Solvation Effect On The Ar+3 Chromophore Journal of Chemical Physics. 105: 10734-10742. DOI: 10.1063/1.472881 |
0.375 |
|
| 1996 |
Kawamata H, Negishi Y, Kishi R, Iwata S, Nakajima A, Kaya K. Photoelectron spectroscopy of silicon–fluorine binary cluster anions (SinF−m) Journal of Chemical Physics. 105: 5369-5376. DOI: 10.1063/1.472377 |
0.337 |
|
| 1996 |
Ten‐no S, Iwata S. Multiconfiguration self‐consistent field procedure employing linear combination of atomic‐electron distributions Journal of Chemical Physics. 105: 3604-3611. DOI: 10.1063/1.472231 |
0.32 |
|
| 1996 |
Watanabe H, Iwata S. Theoretical studies of geometric structures of phenol‐water clusters and their infrared absorption spectra in the O–H stretching region Journal of Chemical Physics. 105: 420-431. DOI: 10.1063/1.471918 |
0.382 |
|
| 1996 |
Kishi R, Gomei M, Nakajima A, Iwata S, Kaya K. Theoretical study of carbon doped small silicon clusters: Electron affinities of SinC (n=2–5) Journal of Chemical Physics. 104: 8593-8604. DOI: 10.1063/1.471548 |
0.396 |
|
| 1996 |
Ornellas FR, Iwata S. Structures and Energetics of New Nitrogen and Silicon Molecules: An Ab Initio Study of Si2N2 The Journal of Physical Chemistry. 100: 16155-16161. DOI: 10.1021/Jp961432S |
0.361 |
|
| 1996 |
Ornellas FR, Iwata S. Ab Initio Studies of Silicon and Nitrogen Clusters: Cyclic or Linear Si2N? The Journal of Physical Chemistry. 100: 10919-10927. DOI: 10.1021/Jp960255S |
0.376 |
|
| 1996 |
Asada T, Iwata S. Hybrid procedure of ab initio molecular orbital calculation and Monte Carlo simulation for studying intracluster reactions: applications to Mg+(H2O)n (n = 1−4) Chemical Physics Letters. 260: 1-6. DOI: 10.1016/0009-2614(96)00886-X |
0.324 |
|
| 1996 |
Fujii TS, Iwata S. Theoretical studies of the ground and low-lying excited electronic states of the early transition metal dihydrides with state averaged MC SCF method Chemical Physics Letters. 251: 150-156. DOI: 10.1016/0009-2614(96)00084-X |
0.38 |
|
| 1995 |
Seki K, Kobiki K, Komiyama S, Nishio M, Hirata S, Ozawa N, Iwata S, Lin BL, Miyamoto N, Iwata Y. [Total laparoscopic hysterectomy with abdominal wall-lift method]. Nihon Sanka Fujinka Gakkai Zasshi. 47: 1397-400. PMID 8568364 |
0.36 |
|
| 1995 |
Nakajima A, Taguwa T, Nakao K, Gomei M, Kishi R, Iwata S, Kaya K. Photoelectron spectroscopy of silicon–carbon cluster anions (SinC−m) Journal of Chemical Physics. 103: 2050-2057. DOI: 10.1063/1.469731 |
0.339 |
|
| 1995 |
Nakajima A, Taguwa T, Nakao K, Hoshino K, Iwata S, Kaya K. Photoelectron spectroscopy of AlnS1- clusters (n=1-9) Journal of Chemical Physics. 102: 660-665. DOI: 10.1063/1.469178 |
0.398 |
|
| 1995 |
Watanabe H, Iwata S, Hashimoto K, Misaizu F, Fuke K. Molecular Orbital Studies of the Structures and Reactions of Singly Charged Magnesium Ion with Water Clusters, Mg+(H2O)n Journal of the American Chemical Society. 117: 755-763. DOI: 10.1021/Ja00107A019 |
0.301 |
|
| 1995 |
Zhan CG, Iwata S. Ab initio studies on structures of the hexa-coordinate phosphorus intermediate for the phosphoryl ester exchange and N → O migration reactions of dimethyloxyphosphoryl-threonine Chemical Physics Letters. 247: 401-407. DOI: 10.1016/S0009-2614(95)01254-0 |
0.328 |
|
| 1995 |
Sonoda Y, Iwata S. Theoretical studies of the internal rotation of the methyl group in o-, m-, and p-fluorotoluenes and their cations Chemical Physics Letters. 243: 176-182. DOI: 10.1016/0009-2614(95)00828-R |
0.322 |
|
| 1995 |
Ten-no S, Iwata S. Three-center expansion of electron repulsion integrals with linear combination of atomic electron distributions Chemical Physics Letters. 240: 578-584. DOI: 10.1016/0009-2614(95)00564-K |
0.342 |
|
| 1995 |
Zhan C, Iwata S. Ab Initio Studies On The Structures And Vertical Electron Detachment Energies Of Copper-Water Negative Ion Clusters Cu- (H2O)N And Cuoh- (H2O)N-1 Chemical Physics Letters. 232: 72-78. DOI: 10.1016/0009-2614(94)01311-I |
0.325 |
|
| 1994 |
Nakajima A, Taguwa T, Nakao K, Hoshino K, Iwata S, Kaya K. Photoelectron Spectroscopy of AlS− Diatomic Anion Chemistry Letters. 23: 1525-1528. DOI: 10.1246/Cl.1994.1525 |
0.378 |
|
| 1994 |
Kobayashi T, Matsuzawa H, Iwata S. Theoretical Studies of Ammonia-Halogen and Methylamine-Halogen Complexes: Geometries, Harmonic Vibrational Frequencies and Their Infrared Intensities, and Excited States of Ammonia-Chlorine Monofluoride Complex. Bulletin of the Chemical Society of Japan. 67: 3172-3178. DOI: 10.1246/Bcsj.67.3172 |
0.418 |
|
| 1994 |
Nanbu S, Gomyo M, Iwata S. Potential energy surfaces of some low-lying states of fluoroformyl radical FCO Chemical Physics. 184: 97-106. DOI: 10.1016/0301-0104(94)00089-1 |
0.415 |
|
| 1994 |
Nakajima A, Hoshino K, Watanabe K, Konishi Y, Kurikawa T, Iwata S, Kaya K. Photoionization electronic spectroscopy of AlNa Chemical Physics Letters. 222: 353-357. DOI: 10.1016/0009-2614(94)87074-8 |
0.331 |
|
| 1994 |
Kishi R, Nakajima A, Iwata S, Kaya K. Theoretical study of siliconsodium binary clusters. Geometrical and electronic structures of SinNa (n = 1-7) Chemical Physics Letters. 224: 200-206. DOI: 10.1016/0009-2614(94)00543-5 |
0.327 |
|
| 1994 |
Ikegami T, Iwata S. Theoretical study on the non‐adiabatic photodissociation process of argon cluster ions Ar 7+ International Journal of Quantum Chemistry. 52: 529-539. DOI: 10.1002/Qua.560520847 |
0.377 |
|
| 1993 |
Watanabe H, Aoki M, Iwata S. Theoretical studies of the aluminum-water clusters Al(H2O)n and their ions [Al(H2O)n]+ Bulletin of the Chemical Society of Japan. 66: 3245-3252. DOI: 10.1246/Bcsj.66.3245 |
0.337 |
|
| 1993 |
Ikegami T, Kondow T, Iwata S. Photodissociation dynamics of Ar+3 Journal of Chemical Physics. 99: 3588-3596. DOI: 10.1063/1.466155 |
0.32 |
|
| 1993 |
Ikegami T, Kondow T, Iwata S. The geometric and electronic structures of Arn+ (n=3–27) Journal of Chemical Physics. 98: 3038-3048. DOI: 10.1063/1.464130 |
0.337 |
|
| 1993 |
Hiyama M, Iwata S. Assignment of the photoelectron spectrum of HCl above 20 eV Chemical Physics Letters. 210: 187-192. DOI: 10.1016/0009-2614(93)89122-X |
0.397 |
|
| 1993 |
Hiyama M, Iwata S. Theoretical assignment of the vibronic bands in the photoelectron spectra of N2 below 30 eV Chemical Physics Letters. 211: 319-327. DOI: 10.1016/0009-2614(93)87066-C |
0.39 |
|
| 1993 |
Fuke K, Misaizu F, Sanekata M, Tsukamoto K, Iwata S. Electronic structure and reactivity of Mg+(H2O) n cluster ions European Physical Journal D. 26: 180-182. DOI: 10.1007/Bf01425657 |
0.349 |
|
| 1992 |
Matsuzawa H, Hanawa T, Suzuki K, Iwata S. Theoretical Study of Aluminum-Sodium Bimetallic Clusters. I. Geometrical and Electronic Structures of AlnNa(n=1-4). Bulletin of the Chemical Society of Japan. 65: 2578-2588. DOI: 10.1246/Bcsj.65.2578 |
0.348 |
|
| 1992 |
Nanbu S, Iwata S. Theoretical study of the photodissociation cross sections and the photodissociation dynamics of HOCl The Journal of Physical Chemistry. 96: 2103-2111. DOI: 10.1021/J100184A017 |
0.398 |
|
| 1992 |
Matsuzawa H, Iwata S. Ab initio study of the infrared absorption bands and their intensities for ethylene-halogen and amine-halogen complexes Chemical Physics. 163: 297-305. DOI: 10.1016/0301-0104(92)87110-U |
0.308 |
|
| 1992 |
Fan K, Iwata S. Theoretical studies of the new radicals SiNNH and SiCOH Chemical Physics Letters. 195: 475-481. DOI: 10.1016/0009-2614(92)85547-N |
0.394 |
|
| 1992 |
Hiyama M, Nanbu S, Iwata S. The excimer emission spectra and the interaction potential energy of the ground and excited states of He and alkali-metal ion systems Chemical Physics Letters. 192: 443-450. DOI: 10.1016/0009-2614(92)85496-W |
0.35 |
|
| 1992 |
Fan K, Iwata S. Theoretical study of the three isomers of the SiNO radical Chemical Physics Letters. 189: 401-407. DOI: 10.1016/0009-2614(92)85222-V |
0.392 |
|
| 1992 |
Irisawa J, Iwata S. Ab initio studies of the low-lying states of BeO Theoretical Chemistry Accounts. 81: 223-235. DOI: 10.1007/Bf01118563 |
0.406 |
|
| 1991 |
Iwata S, Nanbu S, Kitajima H. Theoretical studies of vacuum ultraviolet emission spectra of NeLi+ and ArLi+ Journal of Chemical Physics. 94: 3707-3714. DOI: 10.1063/1.459741 |
0.352 |
|
| 1991 |
Inoue T, Iwata S. Ab initio calculation of the dipole moment and frequency-dependent polarizability for silicon monoxide and its anion Journal of Molecular Structure. 243: 147-162. DOI: 10.1016/0022-2860(91)87033-E |
0.393 |
|
| 1991 |
Sekine S, Iwata S, Hirose C. Optagalvanic spectrum of the CO L′ 1 Π-B 1Σ+ (v-0) band and electronic structure of the L′ 1Σ state Chemical Physics Letters. 180: 173-178. DOI: 10.1016/0009-2614(91)87136-Y |
0.331 |
|
| 1990 |
Hashimoto K, Iwata S, Osamura Y. An MCSCF study of the low-lying states of C2H+ Chemical Physics Letters. 174: 649-654. DOI: 10.1016/0009-2614(90)85502-4 |
0.382 |
|
| 1990 |
Inoue T, Iwata S. Method of frequency-dependent hyperpolarizability calculation from large-scale CI matrices Chemical Physics Letters. 167: 566-570. DOI: 10.1016/0009-2614(90)85470-W |
0.301 |
|
| 1990 |
Nagata T, Hirokawa J, Ikegami T, Kondow T, Iwata S. Photodissociation of Ar + 3 cluster ion Chemical Physics Letters. 171: 433-438. DOI: 10.1016/0009-2614(90)85242-5 |
0.337 |
|
| 1989 |
Nakamura K, Osamura Y, Iwata S. Second-order Jahn-Teller effect of cyclobutadiene in low-lying states. An MCSCF study Chemical Physics. 136: 67-77. DOI: 10.1016/0301-0104(89)80129-6 |
0.368 |
|
| 1989 |
Ohno K, Moroküma K, Hosoya H, Hirota F, Iwata S, Osamura Y, Kashiwagi H, Kitaura K, Yamamoto S, Nnakatsuji H, Obara S, Tanaka K, Togasi M, Yamabe S. Quantum chemistryliterature data base supplement 8 Journal of Molecular Structure: Theochem. 203: 1-4. DOI: 10.1016/0166-1280(89)85084-5 |
0.362 |
|
| 1989 |
Osamura Y, Mitsuhashi F, Iwata S. A theoretical study of the photodissociation of acetylene in its lowest excited singlet state Chemical Physics Letters. 164: 205-209. DOI: 10.1016/0009-2614(89)85016-X |
0.372 |
|
| 1988 |
Ohno K, Morokuma K, Hosoya H, Hirota F, Iwata S, Osamura Y, Kashigawa H, Yamamoto S, Kitaura K, Nakatsuji H, Obara S, Tanaka K, Togasi M, Yamabe S. Quantum chemistry literature data base supplement 7 bibliography of ab initio calculation for 1987 Journal of Molecular Structure: Theochem. 182: 5-11. DOI: 10.1016/0166-1280(88)87037-4 |
0.475 |
|
| 1988 |
Sato N, Nanbu S, Iwata S. Theoretical emission spectra of NeAl+ and ArAl+ in the vacuum ultraviolet region Chemical Physics Letters. 146: 275-279. DOI: 10.1016/0009-2614(88)87444-X |
0.32 |
|
| 1987 |
Hashimoto K, Osamura Y, Iwata S. Ab initio study of structure and stability of beryllium compounds Journal of Molecular Structure-Theochem. 152: 101-117. DOI: 10.1016/0166-1280(87)87009-4 |
0.341 |
|
| 1986 |
Ohno K, Morokuma K, Hirota F, Hosoya H, Iwata S, Osamura Y, Kashigawa H, Yamamoto S, Kitaura K, Kosugi N, Nakatsuji H, Obara S, Tanaka K, Togasi M, Yamabe S. Quantum chemistry literature data base supplement 5 bibliography of ab initio calculations for 1985 Journal of Molecular Structure: Theochem. 148: 184-189. DOI: 10.1016/0166-1280(86)85017-5 |
0.475 |
|
| 1986 |
Takano K, Hosoya H, Iwata S. Quantum Chemical Interpretation of Oxidation Number with Ab Initio Molecular Orbital Wavefunctions Nippon Kagaku Kaishi. 375-393. DOI: 10.1007/978-94-009-4746-7_24 |
0.337 |
|
| 1985 |
Inoue T, Matsushima S, Iwata S. The CI calculation of the frequency-dependent polarizability and some optical properties for N2 and O2 Molecular Physics. 56: 1097-1115. DOI: 10.1080/00268978500102921 |
0.337 |
|
| 1985 |
Aoyagi M, Osamura Y, Iwata S. An MCSCF study of the low‐lying states of trans‐butadiene Journal of Chemical Physics. 83: 1140-1148. DOI: 10.1063/1.449477 |
0.384 |
|
| 1985 |
Iwata S, Sato N. Ab initio studies on the vacuum ultraviolet (VUV) excimer emission spectra of NeB+ and ArB+ Journal of Chemical Physics. 82: 2346-2351. DOI: 10.1063/1.448330 |
0.359 |
|
| 1984 |
Kasahara H, Mikami N, Ito M, Iwata S, Suzuki I. Excitation and dispersed fluorescence spectra of the 1B2(V)-1Σg+(X̄) transition of jet-cooled CS2 Chemical Physics. 86: 173-188. DOI: 10.1016/0301-0104(84)85165-4 |
0.37 |
|
| 1983 |
Ibuki T, Sato N, Iwata S. Fluorescence cross sections and electronic transition moments for the A 2Σ+→X 2Π transition in HCl+ by photoionization. Comparison with the ab initio calculations Journal of Chemical Physics. 79: 4805-4810. DOI: 10.1063/1.445625 |
0.386 |
|
| 1983 |
Iwata S. Direct calculation of the frequency-dependent polarizability from a Cl matrix Chemical Physics Letters. 102: 544-549. DOI: 10.1016/0009-2614(83)87462-4 |
0.335 |
|
| 1983 |
Sato K, Tomoda S, Kimura K, Iwata S. Electronic and molecular structure of the water dimer cation. A theoretical study Chemical Physics Letters. 95: 579-583. DOI: 10.1016/0009-2614(83)80359-5 |
0.4 |
|
| 1982 |
Takano K, Hosoya H, Iwata S. Analysis of the oxidation state and oxidation number by ab initio molecular orbital calculations: chlorine and sulfur compounds Journal of the American Chemical Society. 104: 3998-4005. DOI: 10.1021/Ja00378A037 |
0.307 |
|
| 1982 |
Ohno K, Morokuma K, Hirota F, Hosoya H, Iwata S, Kashiwagi H, Obara S, Osamura Y, Yamamoto S, Kosugi N, Nishimoto K, Tanaka K, Togasi M, Yamabe S. Quantum chemistry literature data base — Bibliography of ab initio calculations for 1981 Journal of Molecular Structure. 91: 1-11. DOI: 10.1016/0022-2860(82)90176-4 |
0.462 |
|
| 1981 |
Nomura O, Iwata S. The ab initio potential energy surfaces of some low‐lying states of acetylene Journal of Chemical Physics. 74: 6830-6841. DOI: 10.1063/1.441091 |
0.402 |
|
| 1981 |
Kosugi N, Kuroda H, Iwata S. Double breakdown of Koopmans' theorem and strong correlation satellites in the He II photoelectron spectrum of O3 Chemical Physics. 58: 267-273. DOI: 10.1016/0301-0104(81)80062-6 |
0.343 |
|
| 1981 |
Iwata S. Valence type vacant orbitals for configuration interaction calculations Chemical Physics Letters. 83: 134-138. DOI: 10.1016/0009-2614(81)80305-3 |
0.39 |
|
| 1981 |
Nomura O, Iwata S. The Ab Initio Potential Energy Surfaces Of Some Low-Lying States Of Acetylene Cheminform. 12. DOI: 10.1002/Chin.198139064 |
0.337 |
|
| 1980 |
Nomura O, Iwata S. Ab Initio Studies of the Hydrogen Atom Addition to Ethylene Bulletin of the Chemical Society of Japan. 53: 61-67. DOI: 10.1246/Bcsj.53.61 |
0.367 |
|
| 1980 |
Yamaguchi K, Iwata S. Active reaction subsystem CI studies of peroxy free radicals aminoperoxy radical (H2NO2) Chemical Physics Letters. 76: 375-379. DOI: 10.1016/0009-2614(80)87045-X |
0.341 |
|
| 1980 |
Hashimoto K, Nagakura S, Nakamura J, Iwata S. Magnetic field effect on the fluorescence of methylglyoxal Chemical Physics Letters. 74: 228-231. DOI: 10.1016/0009-2614(80)85147-5 |
0.443 |
|
| 1980 |
Iwata S. An alternative way to analyze the electron distribution in ab initio calculations Chemical Physics Letters. 69: 305-312. DOI: 10.1016/0009-2614(80)85068-8 |
0.342 |
|
| 1980 |
Osamura Y, Yamabe S, Hirota F, Hosoya H, Iwata S, Kashiwagi H, Morokuma K, Togasi M, Obara S, Tanaka K, Ohno K. QCLDB?Quantum chemistry literature data base?a trial International Journal of Quantum Chemistry. 18: 393-396. DOI: 10.1002/Qua.560180208 |
0.428 |
|
| 1979 |
Ishikawa S, Nakamura J, Iwata S, Sumitani M, Nagakura S, Sakata Y, Misumi S. Transannular Interaction in the Excited Triplet States of [2.2]Paracyclophane and Related Compounds Bulletin of the Chemical Society of Japan. 52: 1346-1350. DOI: 10.1246/Bcsj.52.1346 |
0.538 |
|
| 1979 |
Nomura O, Iwata S. Potential energy curves of low-lying states of HNO Chemical Physics Letters. 66: 523-526. DOI: 10.1016/0009-2614(79)80330-9 |
0.397 |
|
| 1979 |
Kanazawa T, Hosoya H, Iwata S. Semiempirical MO study on the abnormal bond orders of large networks of highly branched polyenes International Journal of Quantum Chemistry. 15: 243-257. DOI: 10.1002/Qua.560150208 |
0.365 |
|
| 1978 |
Nakagaki R, Nagakura S, Kobayasm T, Iwata S. Electronic Structures and Spectra of Aminoacetophenones and Related Compounds Bulletin of the Chemical Society of Japan. 51: 2867-2872. DOI: 10.1246/Bcsj.51.2867 |
0.524 |
|
| 1978 |
Iwata S. One-center two electron repulsion parameters in the π and all-valence semi-empirical theories Chemical Physics Letters. 57: 247-252. DOI: 10.1016/0009-2614(78)80444-8 |
0.324 |
|
| 1977 |
Ikuta S, Iwata S, Imamura M. Ab initio studies of the β−‐decay in OHT, NH2T, CH3T, and 14CH4 Journal of Chemical Physics. 66: 4671-4676. DOI: 10.1063/1.433676 |
0.356 |
|
| 1976 |
Iwata S, Freed KF. Nonclassical terms in the true effective valence shell Hamiltonian: A second quantized formalism Journal of Chemical Physics. 65: 1071-1088. DOI: 10.1063/1.433170 |
0.475 |
|
| 1976 |
Watanabe T, Shida T, Iwata S. Electronic absorption bandwidths of negative ions of aromatic hydrocarbons Chemical Physics. 13: 65-72. DOI: 10.1016/0301-0104(76)80125-5 |
0.371 |
|
| 1975 |
Iwata S, Morokuma K. Additions and Corrections - Molecular Orbital Studies of Hydrogen Bonds. V. Analysis of the Hydrogen-Bond Energy between Lower Excited States of H2CO and H2O. Journal of the American Chemical Society. 97: 4786-4786. DOI: 10.1021/Ja00849A601 |
0.476 |
|
| 1975 |
Iwata S, Morokuma K. Molecular orbital studies of hydrogen bonds. VI. Origin of red shift of .pi.-.pi.* transitions. trans-Acrolein-water complex Journal of the American Chemical Society. 97: 966-970. DOI: 10.1021/Ja00838A002 |
0.463 |
|
| 1975 |
Iwata S, Morokuma K. Molecular Orbital Studies Of Hydrogen Bonds Part 6, Origin Of Red Shift Of Pi‐Pi(*) Transitions, Trans‐Acrolein‐Water Complex Cheminform. 6. DOI: 10.1002/Chin.197520092 |
0.458 |
|
| 1974 |
Iwata S, Freed KF. Ab initio evaluation of correlation contributions to the true π‐electron Hamiltonian: Ethylene The Journal of Chemical Physics. 61: 1500-1509. DOI: 10.1063/1.1682094 |
0.536 |
|
| 1974 |
Shida T, Iwata S, Imamura M. Electronic absorption spectra of ion radicals and their molecular orbital interpretation. IV. Anion radicals of aromatic and unsaturated aliphatic carbonyl compounds The Journal of Physical Chemistry. 78: 741-748. DOI: 10.1021/J100600A020 |
0.334 |
|
| 1974 |
IWATA S, FREED KF. ChemInform Abstract: AB INITIO EVALUATION OF CORRELATION CONTRIBUTIONS TO THE TRUE PI-ELECTRON HAMILTONIAN, ETHYLENE Chemischer Informationsdienst. 5. DOI: 10.1002/Chin.197445098 |
0.5 |
|
| 1974 |
IWATA S, MOROKUMA K. ChemInform Abstract: MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS PART 5, ANALYSIS OF THE HYDROGEN-BOND BETWEEN LOWER EXCITED STATES OF H2CO AND H2O Chemischer Informationsdienst. 5. DOI: 10.1002/Chin.197404101 |
0.461 |
|
| 1973 |
Kashiwagi H, Iwata S, Yamaoka T, Nagakura S. The Electronic Absorption Spectra and Electronic Structures of Aromatic Azides, Nitrenes, and Diazonium Ions Bulletin of the Chemical Society of Japan. 46: 417-422. DOI: 10.1246/Bcsj.46.417 |
0.548 |
|
| 1973 |
Kashiwagi H, Iwata S, Nagakura S. π-Electron Structures of Aromatic Hydrocarbons in Their Low-lying Triplet States Bulletin of the Chemical Society of Japan. 46: 3289-3290. DOI: 10.1246/Bcsj.46.3289 |
0.535 |
|
| 1973 |
Iwata S, Morokuma K. Molecular orbital studies of hydrogen bonds. V. Analysis of the hydrogen-bond energy between lower excited states of formaldehyde and water Journal of the American Chemical Society. 95: 7563-7575. DOI: 10.1021/Ja00804A005 |
0.471 |
|
| 1973 |
Shida T, Iwata S. Electronic spectra of ion radicals and their molecular orbital interpretation. III. Aromatic hydrocarbons Journal of the American Chemical Society. 95: 3473-3483. DOI: 10.1021/Ja00792A005 |
0.338 |
|
| 1973 |
Kashiwagi H, Iwata S, Nagakura S. Pi-Electron Structures Of Aromatic Hydrocarbons In Their Low-Lying Triplet States Cheminform. 4. DOI: 10.1002/Chin.197352125 |
0.526 |
|
| 1973 |
Kashiwagi H, Iwata S, Yamaoka T, Nagakura S. Elektronenabsorptionsspektren Und Elektronenstrukturen Aromatischer Azide, Nitrene Und Diazoniumionen Cheminform. 4. DOI: 10.1002/Chin.197318067 |
0.417 |
|
| 1972 |
Shida T, Iwata S. Absorption Spectra of Dianthracene Anion Radical and Anthracene Dimer Anion Journal of Chemical Physics. 56: 2858-2864. DOI: 10.1063/1.1677618 |
0.386 |
|
| 1972 |
Shida T, Iwata S, Watanabe T. Electronic Absorption Spectra Of Excess Electrons In Molecular Aggregates. Ii. Solvated Electrons. The Journal of Physical Chemistry. 76: 3691-3694. DOI: 10.1021/J100669A003 |
0.318 |
|
| 1971 |
Shida T, Iwata S. Electronic spectra of ion-radicals and their molecular orbital interpretation. I. Aromatic nitro-substituted anion-radicals The Journal of Physical Chemistry. 75: 2591-2602. DOI: 10.1021/J100686A012 |
0.333 |
|
| 1970 |
Kobayashi T, Iwata S, Nagakura S. Charge-Transfer Complexes of Maleic Anhydride and Dichloromaleic Anhydride with Various Aromatic Compounds Bulletin of the Chemical Society of Japan. 43: 713-720. DOI: 10.1246/Bcsj.43.713 |
0.513 |
|
| 1970 |
Kobayashi T, Iwata S, Nagakura S. Chargetransfer-Komplexe Von Maleinsaeureanhydrid Und Dichlormaleinsaeureanhydrid Mit Verschiedenen Aromatischen Verbindungen Cheminform. 1. DOI: 10.1002/Chin.197029102 |
0.413 |
|
| 1969 |
Hayashi H, Iwata S, Nagakura S. ESR Spectra of the Charge‐Transfer Triplet States of Some Molecular Complexes Journal of Chemical Physics. 50: 993-1000. DOI: 10.1063/1.1671154 |
0.5 |
|
| 1967 |
Hayashi H, Nagakura S, Iwata S. E.S.R. of the charge-transfer triplet state of the durene-tetracyanobenzene complex Molecular Physics. 13: 489-490. DOI: 10.1080/00268976700101391 |
0.461 |
|
| 1967 |
Iwata S, Tanaka J, Nagakura S. Phosphorescence of the Charge‐Transfer Triplet States of Some Molecular Complexes Journal of Chemical Physics. 47: 2203-2209. DOI: 10.1063/1.1703292 |
0.518 |
|
| 1967 |
Iwata S, Tanaka J, Nagakura S. Absorption and emission spectra of 1,2,4,5-tetracyanobenzene-naphthalene complex crystal Journal of the American Chemical Society. 89: 2813-2819. DOI: 10.1021/Ja00988A003 |
0.455 |
|
| 1966 |
Iwata S, Tanaka J, Nagakura S. Molecular Complexes between 1,2,4,5-Tetracyanobenzene and Some Aromatic Electron Donors Journal of the American Chemical Society. 88: 894-902. DOI: 10.1021/Ja00957A006 |
0.494 |
|
| 1964 |
Iwata S, Tsubomura H, Nagakura S. Charge-Transfer Complexes of Trinitrobenzene with Tetramethyl-p-phenylenediamine and p-Dimethoxybenzene Bulletin of the Chemical Society of Japan. 37: 1506-1508. DOI: 10.1246/Bcsj.37.1506 |
0.433 |
|
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