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Nodes: 16200,
Authors: 18277,
Journals: 1499,
Outer References: 363576,
Words: 15025
Collection span: 1909 - 2005
View: Overview. Sorted by journal name.
Page 54 of 162: 1 11 21 31 41 [ 51 52 53 54 55 56 57 58 59 60 ] 61 71 81 91 | 101
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
|---|---|---|---|---|---|
| 5301 | 6 | 80 | 13115 1996 JOURNAL OF CHEMICAL PHYSICS 104 (4): 1293-1308 Bader JS; Berne BJ Solvation energies and electronic spectra in polar, polarizable media: Simulation tests of dielectric continuum theory | 2 | 56 |
| 5302 | 7 | 73 | 13116 1996 JOURNAL OF CHEMICAL PHYSICS 104 (4): 1452-1463 Nagy PI; Durant GJ Monte Carlo simulations of the counter ion effect on the conformational equilibrium of the N,N'-diphenyl-guanidinium ion in aqueous solution | 0 | 12 |
| 5303 | 11 | 86 | 13117 1996 JOURNAL OF CHEMICAL PHYSICS 104 (5): 1937-1952 Rabani E; Levine RD Dynamics of Rydberg states of molecules in the intermediate regime: The role of the vibrations | 4 | 19 |
| 5304 | 1 | 46 | 13118 1996 JOURNAL OF CHEMICAL PHYSICS 104 (6): 2401-2409 Forrest BM; Leontidis E; Suter UW A normal-mode study of a polymer glass containing a chromophore impurity | 0 | 7 |
| 5305 | 5 | 59 | 13119 1996 JOURNAL OF CHEMICAL PHYSICS 104 (8): 2976-2986 Swallen SF; Weidemaier K; Fayer MD Solvent structure and hydrodynamic effects in photoinduced electron transfer | 0 | 18 |
| 5306 | 6 | 44 | 13120 1996 JOURNAL OF CHEMICAL PHYSICS 104 (12): 4835-4841 Taylor MP; Lipson JEG Collapse of a polymer chain: A Born-Green-Yvon integral equation study | 10 | 28 |
| 5307 | 1 | 21 | 13121 1996 JOURNAL OF CHEMICAL PHYSICS 104 (14): 5424-5428 Abramson EH; Slutsky LJ; Brown JM The thermal diffusivity tensor and lattice dynamics of beta-oxygen at high pressure | 2 | 5 |
| 5308 | 12 | 55 | 13122 1996 JOURNAL OF CHEMICAL PHYSICS 104 (19): 7645-7651 Resat H; McCammon JA Free energy simulations: Correcting for electrostatic cutoffs by use of the Poisson equation | 5 | 17 |
| 5309 | 11 | 73 | 13123 1996 JOURNAL OF CHEMICAL PHYSICS 104 (20): 8032-8042 Torring T; Biermann S; Hoeft J; Mawhorter R; Cave RJ; et al. The structure of alkali halide dimers: A critical test of ionic models and new ab initio results | 0 | 7 |
| 5310 | 13 | 53 | 13124 1996 JOURNAL OF CHEMICAL PHYSICS 104 (20): 8068-8081 Wilson M; Madden PA; Pyper NC; Harding JH Molecular dynamics simulations of compressible ions | 6 | 51 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5311 | 4 | 41 | 13125 1996 JOURNAL OF CHEMICAL PHYSICS 104 (21): 8678-8689 Beglov D; Roux B Solvation of complex molecules in a polar liquid: An integral equation theory | 6 | 36 |
| 5312 | 1 | 26 | 13126 1996 JOURNAL OF CHEMICAL PHYSICS 104 (22): 9065-9074 Chitanvis SM A continuum solvation theory of quadrupolar fluids | 1 | 10 |
| 5313 | 8 | 33 | 13127 1996 JOURNAL OF CHEMICAL PHYSICS 104 (23): 9578-9585 Kalko SG; Sese G; Padro JA On the effects of truncating the electrostatic interactions: Free energies of ion hydration | 4 | 25 |
| 5314 | 9 | 45 | 13128 1996 JOURNAL OF CHEMICAL PHYSICS 105 (5): 2004-2010 Hummer G; Szabo A Calculation of free-energy differences from computer simulations of initial and final states | 8 | 42 |
| 5315 | 3 | 187 | 13129 1996 JOURNAL OF CHEMICAL PHYSICS 105 (10): 4076-4093 Li X; Hunt KLC Nonadditive, three-body dipoles and forces on nuclei: New interrelations and an electrostatic interpretation | 0 | 4 |
| 5316 | 1 | 10 | 13130 1996 JOURNAL OF CHEMICAL PHYSICS 105 (10): 4185-4190 Lacks DJ; Shukla RC Molecular dynamics simulations of the effects of truncation of the Taylor expansion of the potential energy on the thermodynamic properties of a crystal | 1 | 1 |
| 5317 | 9 | 46 | 13131 1996 JOURNAL OF CHEMICAL PHYSICS 105 (10): 4197-4210 Horvath D; Lippens G; vanBelle D Development and parametrization of continuum solvent models .2. A unified approach to the solvation problem | 0 | 4 |
| 5318 | 5 | 68 | 13132 1996 JOURNAL OF CHEMICAL PHYSICS 105 (11): 4649-4663 Remacle F; Levine RD Rotational autoionization and interseries coupling of high Rydberg states by the anisotropy of the molecular core: The quantal long time evolution | 2 | 26 |
| 5319 | 9 | 95 | 13133 1996 JOURNAL OF CHEMICAL PHYSICS 105 (12): 4938-4963 Mayer M; Cederbaum LS Molecular rotations in vibronically coupled systems | 3 | 13 |
| 5320 | 5 | 52 | 13134 1996 JOURNAL OF CHEMICAL PHYSICS 105 (18): 7986-7994 Kauppi E Ab initio discrete variable representation calculation of vibrational energy levels | 1 | 2 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5321 | 5 | 50 | 13135 1996 JOURNAL OF CHEMICAL PHYSICS 105 (18): 7995-8010 Wagersreiter T; Mukamel S Optical activity of electronically delocalized molecular aggregates: Nonlocal response formulation | 0 | 8 |
| 5322 | 5 | 45 | 13136 1996 JOURNAL OF CHEMICAL PHYSICS 105 (20): 9141-9152 Baer R; Charutz DM; Kosloff R; Baer M A study of conical intersection effects on scattering processes: The validity of adiabatic single-surface approximations within a quasi-Jahn-Teller model | 25 | 51 |
| 5323 | 2 | 36 | 13422 1997 JOURNAL OF CHEMICAL PHYSICS 106 (9): 3439-3456 Cesar A; Gelmukhanov F; Luo Y; Agren H; Skytt P; et al. Resonant x-ray scattering beyond the Born-Oppenheimer approximation: Symmetry breaking in the oxygen resonant x-ray emission spectrum of carbon dioxide | 0 | 53 |
| 5324 | 5 | 89 | 13423 1997 JOURNAL OF CHEMICAL PHYSICS 106 (9): 3485-3493 Lim MH; Gnanakaran S; Hochstrasser RM Charge shifting in the ultrafast photoreactions of ClO-in water | 0 | 17 |
| 5325 | 4 | 37 | 13424 1997 JOURNAL OF CHEMICAL PHYSICS 106 (10): 4091-4101 Sadygov RG; Rostas J; Taieb G; Yarkony DR Resonances in the predissociation of the A (2)Pi(Omega), state of MgBr | 0 | 2 |
| 5326 | 7 | 48 | 13425 1997 JOURNAL OF CHEMICAL PHYSICS 106 (11): 4415-4429 Koppel H; Gadea FX; Klatt G; Schirmer J; Cederbaum LS Multistate vibronic coupling effects in the K-shell excitation spectrum of ethylene: Symmetry breaking and core-hole localization | 0 | 30 |
| 5327 | 2 | 65 | 13426 1997 JOURNAL OF CHEMICAL PHYSICS 106 (12): 4918-4930 Martens CC; Fang JY Semiclassical-limit molecular dynamics on multiple electronic surfaces | 6 | 78 |
| 5328 | 18 | 79 | 13427 1997 JOURNAL OF CHEMICAL PHYSICS 106 (13): 5587-5598 Biswas R; Bagchi B Ionic mobility in alcohols: From dielectric friction to the solvent-berg model | 14 | 32 |
| 5329 | 11 | 91 | 13428 1997 JOURNAL OF CHEMICAL PHYSICS 106 (16): 6622-6633 Baldridge K; Klamt A First principles implementation of solvent effects without outlying charge error | 9 | 45 |
| 5330 | 8 | 20 | 13429 1997 JOURNAL OF CHEMICAL PHYSICS 106 (19): 8135-8139 Ashbaugh HS; Wood RH Effects of long-range electrostatic potential truncation on the free energy of ionic hydration | 20 | 34 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5331 | 17 | 59 | 13430 1997 JOURNAL OF CHEMICAL PHYSICS 106 (24): 10194-10206 Chipman DM Charge penetration in dielectric models of solvation | 9 | 45 |
| 5332 | 0 | 23 | 13431 1997 JOURNAL OF CHEMICAL PHYSICS 107 (4): 1128-1136 Bhattacharyya S; Bhattacharyya DK The forbidden radiative transitions with Delta S=+/-1 in small homonuclear diatomic molecules | 0 | 0 |
| 5333 | 3 | 52 | 13432 1997 JOURNAL OF CHEMICAL PHYSICS 107 (5): 1451-1459 Last I; Gilibert M; Baer M A three-dimensional quantum mechanical study of the H+H2+->H-2+H+ system: Competition between chemical exchange and inelastic processes | 6 | 24 |
| 5334 | 2 | 42 | 13433 1997 JOURNAL OF CHEMICAL PHYSICS 107 (5): 1600-1616 Umantsev A Adiabatic phase transformations in confinement | 0 | 1 |
| 5335 | 9 | 29 | 13434 1997 JOURNAL OF CHEMICAL PHYSICS 107 (7): 2694-2695 Baer M On the Longuet-Higgins phase and its relation to the electronic adiabatic-diabatic transformation angle | 20 | 34 |
| 5336 | 1 | 32 | 13435 1997 JOURNAL OF CHEMICAL PHYSICS 107 (8): 3014-3020 Li Y; Bludsky O; Hirsch G; Buenker RJ Use of Gauss-Hermite quadrature in the treatment of predissociation resonances with the complex-scaling method | 4 | 15 |
| 5337 | 3 | 96 | 13436 1997 JOURNAL OF CHEMICAL PHYSICS 107 (10): 3876-3893 Meier T; Zhao Y; Chernyak V; Mukamel S Polarons, localization, and excitonic coherence in superradiance of biological antenna complexes | 0 | 61 |
| 5338 | 3 | 53 | 13437 1997 JOURNAL OF CHEMICAL PHYSICS 107 (10): 3924-3929 Rips I; Tachiya M Equilibrium properties of the solvated electron in polar liquids: Finite solvent size effects | 1 | 6 |
| 5339 | 3 | 88 | 13438 1997 JOURNAL OF CHEMICAL PHYSICS 107 (16): 6230-6245 Muller U; Stock G Surface-hopping modeling of photoinduced relaxation dynamics on coupled potential-energy surfaces | 6 | 76 |
| 5340 | 14 | 65 | 13439 1997 JOURNAL OF CHEMICAL PHYSICS 107 (17): 6908-6916 Puhovski YP; Rode BM Solvated ion dynamics in the water-formamide mixtures using molecular dynamics simulations | 3 | 11 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5341 | 7 | 22 | 13440 1997 JOURNAL OF CHEMICAL PHYSICS 107 (18): 7409-7417 Shukla RC; Lacks DJ Higher-order perturbation theory for the thermodynamic properties of a solid with a truncated potential energy expansion | 2 | 2 |
| 5342 | 6 | 18 | 13441 1997 JOURNAL OF CHEMICAL PHYSICS 107 (21): 9275-9277 Hummer G; Pratt LR; Garcia AE Ion sizes and finite-size corrections for ionic-solvation free energies | 19 | 45 |
| 5343 | 10 | 35 | 13442 1997 JOURNAL OF CHEMICAL PHYSICS 107 (24): 10662-10666 Baer M Nonadiabatic effects in molecular adiabatic systems: Application to linear plus quadratic E circle times e system | 14 | 26 |
| 5344 | 10 | 37 | 13775 1998 JOURNAL OF CHEMICAL PHYSICS 108 (1): 177-192 Zhan CG; Bentley J; Chipman DM Volume polarization in reaction field theory | 10 | 51 |
| 5345 | 0 | 45 | 13776 1998 JOURNAL OF CHEMICAL PHYSICS 108 (1): 359-367 Tang H; Bouju X; Joachim C; Girard C; Devillers J Theoretical study of the atomic-force-microscopy imaging process on the NaCl(001) surface | 1 | 4 |
| 5346 | 13 | 49 | 13777 1998 JOURNAL OF CHEMICAL PHYSICS 108 (4): 1552-1561 Garde S; Hummer G; Paulaitis ME Free energy of hydration of a molecular ionic solute: Tetramethylammonium ion | 4 | 19 |
| 5347 | 0 | 12 | 13778 1998 JOURNAL OF CHEMICAL PHYSICS 108 (6): 2622-2625 McGann MR; Lacks DJ Monte Carlo simulations of the interlamellar spacing in model n-alkane crystals | 0 | 2 |
| 5348 | 2 | 72 | 13779 1998 JOURNAL OF CHEMICAL PHYSICS 108 (11): 4614-4627 Kay M; Darling GR; Holloway S Comparing quantum and classical dynamics: H-2 dissociation on W(100) | 1 | 22 |
| 5349 | 11 | 81 | 13780 1998 JOURNAL OF CHEMICAL PHYSICS 108 (15): 6117-6134 Hunenberger PH; van Gunsteren WF Alternative schemes for the inclusion of a reaction-field correction into molecular dynamics simulations: Influence on the simulated energetic, structural, and dielectric properties of liquid water | 12 | 40 |
| 5350 | 0 | 85 | 13781 1998 JOURNAL OF CHEMICAL PHYSICS 108 (15): 6394-6403 Goulon J; Goulon-Ginet C; Rogalev A; Gotte V; Malgrange C; et al. X-ray natural circular dichroism in a uniaxial gyrotropic single crystal of LiIO3 | 3 | 27 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5351 | 1 | 70 | 13782 1998 JOURNAL OF CHEMICAL PHYSICS 108 (16): 6722-6738 Pernpointner M; Seth M; Schwerdtfeger P A point-charge model for the nuclear quadrupole moment: Coupled-cluster, Dirac-Fock, Douglas-Kroll, and nonrelativistic Hartree-Fock calculations for the Cu and F electric field gradients in CuF | 0 | 38 |
| 5352 | 7 | 42 | 13783 1998 JOURNAL OF CHEMICAL PHYSICS 108 (17): 7070-7084 Bogusz S; Cheatham TE; Brooks BR Removal of pressure and free energy artifacts in charged periodic systems via net charge corrections to the Ewald potential | 3 | 24 |
| 5353 | 10 | 37 | 13784 1998 JOURNAL OF CHEMICAL PHYSICS 108 (17): 7339-7349 Chong SH; Hirata F Dynamics of solvated ion in polar liquids: An interaction-site-model description | 6 | 19 |
| 5354 | 2 | 67 | 13785 1998 JOURNAL OF CHEMICAL PHYSICS 108 (21): 8899-8921 Tolstikhin OI; Nakamura H Hyperspherical elliptic coordinates for the theory of light atom transfer reactions in atom-diatom collisions | 3 | 39 |
| 5355 | 8 | 25 | 13786 1998 JOURNAL OF CHEMICAL PHYSICS 108 (23): 9617-9623 Resat H; McCammon JA Correcting for electrostatic cutoffs in free energy simulations: Toward consistency between simulations with different cutoffs | 4 | 10 |
| 5356 | 1 | 33 | 13787 1998 JOURNAL OF CHEMICAL PHYSICS 108 (24): 10116-10128 McCarthy WJ; Lapinski L; Nowak MJ; Adamowicz L Out-of-plane vibrations of NH2 in 2-aminopyrimidine and formamide | 0 | 9 |
| 5357 | 6 | 30 | 13788 1998 JOURNAL OF CHEMICAL PHYSICS 108 (24): 10209-10219 Rowley AJ; Jemmer P; Wilson M; Madden PA Evaluation of the many-body contributions to the interionic interactions in MgO | 3 | 37 |
| 5358 | 9 | 43 | 13789 1998 JOURNAL OF CHEMICAL PHYSICS 108 (24): 10274-10280 Rutledge GC; Lacks DJ; Martonak R; Binder K A comparison of quasi-harmonic lattice dynamics and Monte Carlo simulation of polymeric crystals using orthorhombic polyethylene | 1 | 12 |
| 5359 | 7 | 25 | 13790 1998 JOURNAL OF CHEMICAL PHYSICS 109 (3): 891-894 Baer M Derivation of the phase factor and geometrical phase for an N-state degenerate system | 4 | 6 |
| 5360 | 7 | 41 | 13791 1998 JOURNAL OF CHEMICAL PHYSICS 109 (3): 1074-1083 Hyun JK; Ichiye T Nonlinear response in ionic solvation: A theoretical investigation | 6 | 16 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5361 | 12 | 29 | 13792 1998 JOURNAL OF CHEMICAL PHYSICS 109 (10): 3989-3993 Bagchi B Microscopic derivation of the Hubbard-Onsager-Zwanzig expression of limiting ionic conductivity | 2 | 8 |
| 5362 | 1 | 48 | 13793 1998 JOURNAL OF CHEMICAL PHYSICS 109 (11): 4281-4289 Takata I; Taketsugu T; Hirao K; Gordon MS Ab initio potential energy surface by modified Shepard interpolation: Application to the CH3+H-2 -> CH4+H reaction | 0 | 22 |
| 5363 | 6 | 50 | 13794 1998 JOURNAL OF CHEMICAL PHYSICS 109 (12): 4713-4725 Kohen D; Stillinger FH; Tully JC Model studies of nonadiabatic dynamics | 3 | 40 |
| 5364 | 6 | 34 | 13795 1998 JOURNAL OF CHEMICAL PHYSICS 109 (16): 6550-6556 Baer M; Yahalom A; Englman R Time-dependent and time-independent approaches to study effects of degenerate electronic states | 7 | 23 |
| 5365 | 9 | 39 | 13796 1998 JOURNAL OF CHEMICAL PHYSICS 109 (17): 7583-7590 Taylor MP; Lipson JEG A Born-Green-Yvon integral equation theory for self-interacting lattice polymers | 1 | 4 |
| 5366 | 1 | 29 | 13797 1998 JOURNAL OF CHEMICAL PHYSICS 109 (19): 8573-8582 Kopsias NP; Theodorou DN Elementary structural transitions in the amorphous Lennard-Jones solid using multidimensional transition-state theory | 1 | 8 |
| 5367 | 1 | 12 | 13798 1998 JOURNAL OF CHEMICAL PHYSICS 109 (23): 10521-10522 Freeman GR; March NH Relationships between surface tension and bulk properties of liquids: Organic liquids near 298 K | 2 | 8 |
| 5368 | 26 | 115 | 13799 1998 JOURNAL OF CHEMICAL PHYSICS 109 (24): 10543-10558 Zhan CG; Chipman DM Cavity size in reaction field theory | 6 | 52 |
| 5369 | 4 | 51 | 14130 1999 JOURNAL OF CHEMICAL PHYSICS 110 (2): 711-723 Christiansen O First-order nonadiabatic coupling matrix elements using coupled cluster methods. I. Theory | 0 | 3 |
| 5370 | 1 | 33 | 14131 1999 JOURNAL OF CHEMICAL PHYSICS 110 (3): 1317-1320 Koehl RM; Adachi S; Nelson KA Real-space polariton wave packet imaging | 6 | 12 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5371 | 1 | 65 | 14132 1999 JOURNAL OF CHEMICAL PHYSICS 110 (3): 1497-1507 Aramburu JA; Moreno M; Doclo K; Daul C; Barriuso MT Crystal-field and charge transfer transitions due to Cr3+ ions in fluorides | 1 | 29 |
| 5372 | 2 | 26 | 14133 1999 JOURNAL OF CHEMICAL PHYSICS 110 (3): 1526-1532 Dang LX Characterization of water octamer, nanomer, decamer, and iodide-water interactions using molecular dynamics techniques | 1 | 25 |
| 5373 | 6 | 51 | 14134 1999 JOURNAL OF CHEMICAL PHYSICS 110 (3): 1611-1622 Zhan CG; Chipman DM Reaction field effects on nitrogen shielding | 7 | 48 |
| 5374 | 13 | 66 | 14135 1999 JOURNAL OF CHEMICAL PHYSICS 110 (3): 1669-1676 Martinez JM; Pappalardo RR; Marcos ES Shape and size of simple cations in aqueous solutions: A theoretical reexamination of the hydrated ion via computer simulations | 0 | 8 |
| 5375 | 11 | 79 | 14136 1999 JOURNAL OF CHEMICAL PHYSICS 110 (4): 1856-1872 Hunenberger PH; McCammon JA Ewald artifacts in computer simulations of ionic solvation and ion-ion interaction: A continuum electrostatics study | 14 | 79 |
| 5376 | 5 | 34 | 14137 1999 JOURNAL OF CHEMICAL PHYSICS 110 (15): 7403-7411 Felderhof BU; Kroh HJ Hydrodynamics of magnetic and dielectric fluids in interaction with the electromagnetic field | 0 | 13 |
| 5377 | 5 | 20 | 14138 1999 JOURNAL OF CHEMICAL PHYSICS 110 (15): 7594-7597 Kendrick BK; Mead CA; Truhlar DG Comment on "On the Longuet-Higgins phase and its relation to the electronic adiabatic-diabatic transformation angle" | 13 | 18 |
| 5378 | 12 | 44 | 14139 1999 JOURNAL OF CHEMICAL PHYSICS 110 (16): 8012-8018 Chipman DM Simulation of volume polarization in reaction field theory | 5 | 22 |
| 5379 | 5 | 49 | 14140 1999 JOURNAL OF CHEMICAL PHYSICS 110 (19): 9371-9383 Thiel A; Koppel H Proposal and numerical test of a simple diabatization scheme | 9 | 37 |
| 5380 | 13 | 63 | 14141 1999 JOURNAL OF CHEMICAL PHYSICS 110 (22): 10679-10692 Baker NA; Hunenberger PH; McCammon JA Polarization around an ion in a dielectric continuum with truncated electrostatic interactions | 4 | 10 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5381 | 3 | 38 | 14142 1999 JOURNAL OF CHEMICAL PHYSICS 110 (23): 11197-11205 Gemperle F; Gadea FX Beyond Born-Oppenheimer spectroscopic study for the C state of LiH | 1 | 10 |
| 5382 | 1 | 17 | 14143 1999 JOURNAL OF CHEMICAL PHYSICS 110 (23): 11390-11398 Barnes CD; Kofke DA Exact solution for the singlet density distributions and second-order correlations of normal-mode coordinates for hard rods in one dimension | 2 | 2 |
| 5383 | 2 | 55 | 14144 1999 JOURNAL OF CHEMICAL PHYSICS 110 (24): 11756-11767 Seto JY; Morbi Z; Charron F; Lee SK; Bernath PF; et al. Vibration-rotation emission spectra and combined isotopomer analyses for the coinage metal hydrides: CuH & CuD, AgH & AgD, and AuH & AuD | 1 | 21 |
| 5384 | 12 | 39 | 14145 1999 JOURNAL OF CHEMICAL PHYSICS 111 (3): 833-841 Paine GH A formal method for solving the stationary BBGKY hierarchy for a classical inhomogeneous fluid | 0 | 0 |
| 5385 | 11 | 50 | 14146 1999 JOURNAL OF CHEMICAL PHYSICS 111 (8): 3654-3667 Chong SH; Hirata F Dynamics of ions in liquid water: An interaction-site-model description | 3 | 9 |
| 5386 | 10 | 55 | 14147 1999 JOURNAL OF CHEMICAL PHYSICS 111 (13): 5808-5823 Tuvi I; Band YB Modified Born-Oppenheimer basis for nonadiabatic coupling: Application to the vibronic spectrum of HD+ | 0 | 0 |
| 5387 | 5 | 29 | 14148 1999 JOURNAL OF CHEMICAL PHYSICS 111 (14): 6171-6179 Shigeta Y; Nagao H; Nishikawa K; Yamaguchi K A formulation and numerical approach to molecular systems by the Green function method without the Born-Oppenheimer approximation | 2 | 18 |
| 5388 | 5 | 27 | 14149 1999 JOURNAL OF CHEMICAL PHYSICS 111 (18): 8701-8707 Taylor MP; Lipson JEG Lattice versus continuum models of a polymer chain | 1 | 2 |
| 5389 | 9 | 32 | 14150 1999 JOURNAL OF CHEMICAL PHYSICS 111 (21): 9700-9704 Hsu CP; Head-Gordon M; Head-Gordon T Reaction field cavity optimization: A born-again Born model for ionic hydration | 0 | 3 |
| 5390 | 2 | 68 | 14151 1999 JOURNAL OF CHEMICAL PHYSICS 111 (22): 10217-10228 Wissing K; Barriuso MT; Aramburu JA; Moreno M Optical excitations and coupling constants in FeO42-and CrO44-complexes in oxides: Density functional study | 0 | 17 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5391 | 2 | 24 | 14152 1999 JOURNAL OF CHEMICAL PHYSICS 111 (24): 10895-10902 Kono H; Tazaki T; Kawata I; Fujimura Y Magnetic field effects on the dynamics of a Rydberg electron: The residence time near the core | 0 | 0 |
| 5392 | 10 | 44 | 14153 1999 JOURNAL OF CHEMICAL PHYSICS 111 (24): 11111-11116 Tse JS; Shpakov VP; Belosludov VR Vibrational spectrum, elastic moduli and mechanical stability in ice VIII | 1 | 6 |
| 5393 | 1 | 35 | 14471 2000 JOURNAL OF CHEMICAL PHYSICS 112 (1): 260-267 Li Y; Bludsky O; Hirsch G; Buenker RJ Ab initio configuration interaction study of the predissociation of the (4s), (4p sigma) (1,3)Pi, and (4p pi) (3)Sigma(+) Rydberg states of HCl and DCl | 1 | 5 |
| 5394 | 12 | 80 | 14472 2000 JOURNAL OF CHEMICAL PHYSICS 112 (5): 2121-2127 Varandas AJC; Xu ZR Nuclear dynamics in the vicinity of the crossing seam: Theory and application to vibrational spectrum of H-3 | 9 | 15 |
| 5395 | 5 | 50 | 14473 2000 JOURNAL OF CHEMICAL PHYSICS 112 (6): 2746-2751 Xu ZR; Baer M; Varandas AJC On phase factors and geometric phases in isotopes of H-3: A line integral study | 16 | 23 |
| 5396 | 0 | 17 | 14474 2000 JOURNAL OF CHEMICAL PHYSICS 112 (8): 3787-3791 Gamba Z; Powell BM The ordered and orientationally disordered crystalline phases of the flexible C4F8 molecule | 1 | 1 |
| 5397 | 3 | 62 | 14475 2000 JOURNAL OF CHEMICAL PHYSICS 112 (9): 3980-3989 Donoso A; Martens CC Semiclassical multistate Liouville dynamics in the adiabatic representation | 2 | 28 |
| 5398 | 6 | 48 | 14476 2000 JOURNAL OF CHEMICAL PHYSICS 112 (9): 4326-4333 de Leeuw NH; Parker SC Modeling absorption and segregation of magnesium and cadmium ions to calcite surfaces: Introducing MgCO3 and CdCO3 potential models | 9 | 13 |
| 5399 | 6 | 116 | 14477 2000 JOURNAL OF CHEMICAL PHYSICS 112 (10): 4662-4675 Takebayashi Y; Kimura Y; Ohba M Density dependence of solvation properties in polar dumbbell fluids from gaseous to liquid densities | 0 | 3 |
| 5400 | 3 | 37 | 14478 2000 JOURNAL OF CHEMICAL PHYSICS 112 (11): 4923-4934 Ramquet MN; Dive G; Dehareng D Critical points and reaction paths characterization on a potential energy hypersurface | 0 | 13 |
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