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Nikita Matsunaga - Publications

Affiliations: 
Long Island University, Brooklyn 
Area:
Quantum Chemistry
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43 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Kudo T, Schmidt MW, Matsunaga N. Ab Initio Molecular Orbital Study of the First Four Si/C Alternately Substituted Annulenes. The Journal of Physical Chemistry. A. 123: 4588-4598. PMID 31062974 DOI: 10.1021/Acs.Jpca.9B02631  0.348
2019 Koseki S, Matsunaga N, Asada T, Schmidt MW, Gordon MS. Spin-Orbit Coupling Constants in Atoms and Ions of Transition Elements:Comparison of Effective Core Potentials, Model Core Potentials, and All-Electron Methods. The Journal of Physical Chemistry. A. PMID 30817150 DOI: 10.1021/Acs.Jpca.8B09218  0.502
2016 Koseki S, Toyota A, Muramatsu T, Asada T, Matsunaga N. Numerical Estimation of the Pseudo-Jahn-Teller Effect Using Nonadiabatic Coupling Integrals in Monocyclic and Bicyclic Conjugated Molecules. The Journal of Physical Chemistry. A. PMID 27966960 DOI: 10.1021/Acs.Jpca.6B09632  0.315
2012 Bytautas L, Matsunaga N, Scuseria GE, Ruedenberg K. Accurate potential energy curve for B2. Ab initio elucidation of the experimentally elusive ground state rotation-vibration spectrum. The Journal of Physical Chemistry. A. 116: 1717-29. PMID 22175225 DOI: 10.1021/Jp210473E  0.33
2012 Rogers DW, Zavitsas AA, Matsunaga N. Determination of enthalpies (‘Heats’) of formation Wiley Interdisciplinary Reviews: Computational Molecular Science. 3: 21-36. DOI: 10.1002/Wcms.1109  0.305
2011 Zavitsas AA, Rogers DW, Matsunaga N. Destabilization of Conjugated Systems of α-Dicarbonyls and of Cyanogen Australian Journal of Chemistry. 64: 390. DOI: 10.1071/Ch10394  0.356
2010 Koseki S, Hisashima TA, Asada T, Toyota A, Matsunaga N. Tetrahydrides of third-row transition elements: spin-orbit coupling effects on the stability of rhenium tetrahydride. The Journal of Chemical Physics. 133: 174112. PMID 21054011 DOI: 10.1063/1.3495680  0.367
2010 Zavitsas AA, Rogers DW, Matsunaga N. Shortcomings of basing radical stabilization energies on bond dissociation energies of alkyl groups to hydrogen. The Journal of Organic Chemistry. 75: 5697-700. PMID 20704439 DOI: 10.1021/Jo101127M  0.338
2010 Bytautas L, Matsunaga N, Ruedenberg K. Accurate ab initio potential energy curve of O2. II. Core-valence correlations, relativistic contributions, and vibration-rotation spectrum. The Journal of Chemical Physics. 132: 074307. PMID 20170227 DOI: 10.1063/1.3298376  0.383
2010 Rogers DW, Zavitsas AA, Matsunaga N. The Thermodynamic Conjugation Stabilization of 1,3-Butadiyne Is Zero Journal of Chemical Education. 87: 1357-1359. DOI: 10.1021/Ed1001015  0.332
2010 CUNDARI TR, MATSUNAGA N, MOODY EW. ChemInform Abstract: Elimination and Activation of Methane and Larger Hydrocarbons Cheminform. 27: no-no. DOI: 10.1002/chin.199632032  0.376
2010 MATSUNAGA N, GORDON MS. ChemInform Abstract: A Theoretical Study of NH- 4 and PH- 4. Cheminform. 26: no-no. DOI: 10.1002/CHIN.199549001  0.354
2009 Rogers DW, Zavitsas AA, Matsunaga N. Effects of molecule stabilization energies on radical reactions: G3 and G3(MP2) model chemistries applied to benzylic systems. The Journal of Physical Chemistry. A. 113: 12049-55. PMID 19863129 DOI: 10.1021/Jp902354A  0.407
2008 Zavitsas AA, Matsunaga N, Rogers DW. Enthalpies of formation of hydrocarbons by hydrogen atom counting. Theoretical implications. The Journal of Physical Chemistry. A. 112: 5734-41. PMID 18510304 DOI: 10.1021/Jp801152T  0.361
2008 Bytautas L, Matsunaga N, Nagata T, Gordon MS, Ruedenberg K. Accurate ab initio potential energy curve of F2. III. The vibration rotation spectrum. The Journal of Chemical Physics. 127: 204313. PMID 18052433 DOI: 10.1063/1.2805392  0.494
2008 Bytautas L, Matsunaga N, Nagata T, Gordon MS, Ruedenberg K. Accurate ab initio potential energy curve of F2. II. Core-valence correlations, relativistic contributions, and long-range interactions. The Journal of Chemical Physics. 127: 204301. PMID 18052421 DOI: 10.1063/1.2801989  0.502
2007 Zavitsas AA, Rogers DW, Matsunaga N. Remote substituent effects on allylic and benzylic bond dissociation energies. Effects on stabilization of parent molecules and radicals. The Journal of Organic Chemistry. 72: 7091-101. PMID 17715965 DOI: 10.1021/Jo0707129  0.405
2007 Spelios M, Nedd S, Matsunaga N, Savva M. Effect of spacer attachment sites and pH-sensitive headgroup expansion on cationic lipid-mediated gene delivery of three novel myristoyl derivatives. Biophysical Chemistry. 129: 137-47. PMID 17573180 DOI: 10.1016/J.Bpc.2007.05.016  0.626
2006 Rogers DW, Matsunaga N, Zavitsas AA. Stabilization energies of extensively conjugated propargylic radicals. The Journal of Organic Chemistry. 71: 2214-9. PMID 16526765 DOI: 10.1021/Jo051358M  0.352
2006 Matsunaga N. Molecular Conduction Characteristics from the Intrinsic Molecular Properties Journal of Computational and Theoretical Nanoscience. 3: 957-963. DOI: 10.1166/Jctn.2006.3083  0.357
2005 Rogers DW, Zavitsas AA, Matsunaga N. G3(MP2) enthalpies of hydrogenation, isomerization, and formation of extended linear polyacetylenes. The Journal of Physical Chemistry. A. 109: 9169-73. PMID 16332026 DOI: 10.1021/Jp0534129  0.336
2004 Rogers DW, Matsunaga N, McLafferty FJ, Zavitsas AA, Liebman JF. On the lack of conjugation stabilization in polyynes (polyacetylenes). The Journal of Organic Chemistry. 69: 7143-7. PMID 15471463 DOI: 10.1021/Jo049390O  0.359
2004 Matsunaga N, Zavitsas AA. Comparison of spectroscopic potentials and an a priori analytical function. The potential energy curve of the ground state of the sodium dimer, X1Sigmag(+) Na2. The Journal of Chemical Physics. 120: 5624-30. PMID 15267439 DOI: 10.1063/1.1648637  0.313
2004 Vedova-Brook N, Matsunaga N, Sohlberg K. Correlating substituent parameter values to electron transport properties of molecules Chemical Physics. 299: 89-95. DOI: 10.1016/J.Chemphys.2003.11.030  0.325
2003 Veige AS, Slaughter LM, Lobkovsky EB, Wolczanski PT, Matsunaga N, Decker SA, Cundari TR. Symmetry and geometry considerations of atom transfer: deoxygenation of (silox)3WNO and R3PO (R = Me, Ph, (t)Bu) by (silox)3M (M = V, NbL (L = PMe3, 4-picoline), Ta; silox = (t)Bu3SiO). Inorganic Chemistry. 42: 6204-24. PMID 14514296 DOI: 10.1021/Ic0300114  0.492
2003 Rogers DW, Matsunaga N, Zavitsas AA, McLafferty FJ, Liebman JF. The conjugation stabilization of 1,3-butadiyne is zero. Organic Letters. 5: 2373-5. PMID 12841733 DOI: 10.1021/Ol030019H  0.338
2003 Matsunaga N, Rogers DW, Zavitsas AA. Pauling's electronegativity equation and a new corollary accurately predict bond dissociation enthalpies and enhance current understanding of the nature of the chemical bond. The Journal of Organic Chemistry. 68: 3158-72. PMID 12688786 DOI: 10.1021/Jo020650G  0.345
2002 Matsunaga N, Sohlberg K. The effect of substituents on molecular electronic junctions. Journal of Nanoscience and Nanotechnology. 2: 659-67. PMID 12908431 DOI: 10.1166/153348802321105950  0.319
2002 Matsunaga N, Chaban GM, Gerber RB. Degenerate perturbation theory corrections for the vibrational self-consistent field approximation: Method and applications The Journal of Chemical Physics. 117: 3541-3547. DOI: 10.1063/1.1494978  0.465
2001 Veige AS, Slaughter LM, Wolczanski PT, Matsunaga N, Decker SA, Cundari TR. Deoxygenations of (silox)(3)WNO and R(3)PO by (silox)(3)M (M = V, Ta) and (silox)(3)NbL (silox = (t)Bu(3)SiO): consequences of electronic effects. Journal of the American Chemical Society. 123: 6419-20. PMID 11427070 DOI: 10.1021/Ja004329W  0.436
2001 Matsunaga N, Sohlberg K. Resonant Tunneling and the Substituent Effect on Negative Differential Resistance in a Molecular Junction Mrs Proceedings. 708. DOI: 10.1557/Proc-708-Bb3.7  0.314
1998 Matsunaga N, Yarkony DR. Energies and derivative couplings in the vicinity of a conical intersection 3. The 'most' diabatic basis Molecular Physics. 93: 79-84. DOI: 10.1080/00268979809482190  0.498
1997 Matsunaga N, Yarkony DR. Energies and derivative couplings in the vicinity of a conical intersection. II. CH2(2 3A″,3 3A″) and H2S(1 1A″,2 1A″), unexpected results in an ostensibly standard case Journal of Chemical Physics. 107: 7825-7838. DOI: 10.1063/1.474345  0.529
1997 Parry CS, Brooks BR, Matsunaga N, Amzel LM. Structures of some substituted nitrophenols determined by ab initio computation on the origin of heterocliticity in anti-nitrophenol antibodies Journal of Molecular Structure-Theochem. 555-563. DOI: 10.1016/S0166-1280(97)00033-X  0.333
1996 Matsunaga N, Koseki S, Gordon MS. Relativistic potential energy surfaces of XH2 (X=C, Si, Ge, Sn, and Pb) molecules: Coupling of 1A1 and 3B1 states The Journal of Chemical Physics. 104: 7988-7996. DOI: 10.1063/1.471515  0.474
1996 Cundari TR, Matsunaga N, Moody EW. Elimination and Activation of Methane and Larger Hydrocarbons The Journal of Physical Chemistry. 100: 6475-6483. DOI: 10.1021/Jp952678K  0.511
1996 Jenks WS, Matsunaga N, Gordon M. Effects of Conjugation and Aromaticity on the Sulfoxide Bond1 The Journal of Organic Chemistry. 61: 1275-1283. DOI: 10.1021/Jo951504W  0.496
1995 Matsunaga N, Gordon MS. A Theoretical Study Of Nh4- And Ph4- The Journal of Physical Chemistry. 99: 12773-12780. DOI: 10.1021/J100034A014  0.421
1995 Koseki S, Gordon MS, Schmidt MW, Matsunaga N. Main Group Effective Nuclear Charges for Spin-Orbit Calculations The Journal of Physical Chemistry. 99: 12764-12772. DOI: 10.1021/J100034A013  0.433
1994 Matsunaga N, Gordon MS. Stabilities and Energetics of Inorganic Benzene Isomers: Prismanes Journal of the American Chemical Society. 116: 11407-11419. DOI: 10.1021/Ja00104A021  0.478
1993 Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Su S, Windus TL, Dupuis M, Montgomery JA. General atomic and molecular electronic structure system Journal of Computational Chemistry. 14: 1347-1363. DOI: 10.1002/Jcc.540141112  0.646
1992 Matsunaga N, Cundari TR, Schmidt MW, Gordon MS. A comparative study of the bonding in heteroatom analogues of benzene Theoretica Chimica Acta. 83: 57-68. DOI: 10.1007/Bf01113243  0.567
1989 Montgomery JA, Petersson GA, Matsunaga N. On the helium pair potential Chemical Physics Letters. 155: 413-418. DOI: 10.1016/0009-2614(89)87178-7  0.358
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