Missing Links?: 3235 Citation Matrix | Graphs | Glossary HistCite Guide About |
Nodes: 16222,
Authors: 18280,
Journals: 1511,
Outer References: 363405,
Words: 15035
Collection span: 1909 - 2005
View: Overview. Sorted by journal name.
Page 55 of 163: 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 |
---|---|---|---|---|---|
5401 | 5 | 50 | 14495 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 |
5402 | 1 | 17 | 14496 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 |
5403 | 4 | 62 | 14497 2000 JOURNAL OF CHEMICAL PHYSICS 112 (9): 3980-3989 Donoso A; Martens CC Semiclassical multistate Liouville dynamics in the adiabatic representation | 2 | 28 |
5404 | 7 | 48 | 14498 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 |
5405 | 6 | 116 | 14499 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 |
5406 | 3 | 37 | 14500 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 |
5407 | 9 | 36 | 14501 2000 JOURNAL OF CHEMICAL PHYSICS 112 (13): 5558-5565 Chipman DM Reaction field treatment of charge penetration | 3 | 39 |
5408 | 6 | 48 | 14502 2000 JOURNAL OF CHEMICAL PHYSICS 112 (16): 7138-7146 Egorov SA Local density augmentation in attractive supercritical solutions: Inhomogeneous fluid approach | 3 | 26 |
5409 | 5 | 66 | 14503 2000 JOURNAL OF CHEMICAL PHYSICS 112 (17): 7606-7614 Sandstedt CA; Michalski D; Eckhardt CJ Quantitative measurement of guest-host interactions in supramolecular systems: A comparative Brillouin scattering study of the Dianin's compound clathrand and two of its isostructural clathrates | 1 | 4 |
5410 | 2 | 31 | 14504 2000 JOURNAL OF CHEMICAL PHYSICS 112 (19): 8470-8482 Koizumi H; Bersuker IB; Boggs JE; Polinger VZ Multiple lines of conical intersections and nondegenerate ground state in T circle times t(2) Jahn-Teller systems | 3 | 13 |
# | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
5411 | 3 | 89 | 14505 2000 JOURNAL OF CHEMICAL PHYSICS 113 (4): 1329-1347 Luckhaus D 6D vibrational quantum dynamics: Generalized coordinate discrete variable representation and (a)diabatic contraction | 3 | 67 |
5412 | 1 | 54 | 14506 2000 JOURNAL OF CHEMICAL PHYSICS 113 (21): 9470-9478 Schiedt J; Knott WJ; Le Barbu K; Schlag EW; Weinkauf R Microsolvation of similar-sized aromatic molecules: Photoelectron spectroscopy of bithiophene-, azulene-, and naphthalene-water anion clusters | 0 | 18 |
5413 | 2 | 63 | 14507 2000 JOURNAL OF CHEMICAL PHYSICS 113 (23): 10744-10752 Erbetta D; Ricci D; Pacchioni G Simplified embedding schemes for the quantum-chemical description of neutral and charged point defects in SiO2 and related dielectrics | 3 | 16 |
5414 | 1 | 61 | 14820 2001 JOURNAL OF CHEMICAL PHYSICS 114 (1): 169-178 McCurdy PR; Vorpagel ER; Hess WP Ultraviolet photochemistry of hydrogen-bonded HBr center dot acetone complexes in argon matrices | 0 | 1 |
5415 | 10 | 38 | 14821 2001 JOURNAL OF CHEMICAL PHYSICS 114 (2): 889-898 Babu CS; Lim C Solvation free energies of polar molecular solutes: Application of the two-sphere Born radius in continuum models of solvation | 3 | 6 |
5416 | 3 | 18 | 14822 2001 JOURNAL OF CHEMICAL PHYSICS 114 (4): 1443-1446 Koehl RM; Nelson KA Coherent optical control over collective vibrations traveling at lightlike speeds | 4 | 12 |
5417 | 11 | 51 | 14823 2001 JOURNAL OF CHEMICAL PHYSICS 114 (6): 2601-2613 Yarkony DR Nuclear dynamics near conical intersections in the adiabatic representation: I. The effects of local topography on interstate transitions | 4 | 31 |
5418 | 15 | 52 | 14824 2001 JOURNAL OF CHEMICAL PHYSICS 114 (7): 2924-2937 Im W; Berneche S; Roux B Generalized solvent boundary potential for computer simulations | 5 | 20 |
5419 | 3 | 15 | 14825 2001 JOURNAL OF CHEMICAL PHYSICS 114 (7): 3003-3009 Kokh DB; Li Y; Buenker RJ; Alekseyev AB; Liebermann HP; et al. Nonadiabatic effects in the lowest 0(+)(P-3) ion-pair states of CIF | 0 | 3 |
5420 | 10 | 55 | 14826 2001 JOURNAL OF CHEMICAL PHYSICS 114 (10): 4377-4385 Marchi M; Borgis D; Levy N; Ballone P A dielectric continuum molecular dynamics method | 6 | 22 |
# | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
5421 | 6 | 31 | 14827 2001 JOURNAL OF CHEMICAL PHYSICS 114 (13): 5654-5662 Taylor MP; Luettmer-Strathmann J; Lipson JEG Structure and phase behavior of square-well dimer fluids | 4 | 4 |
5422 | 6 | 48 | 14828 2001 JOURNAL OF CHEMICAL PHYSICS 114 (14): 6364-6370 Muser MH Simulation of material properties below the Debye temperature: A path-integral molecular dynamics case study of quartz | 0 | 5 |
5423 | 4 | 42 | 14829 2001 JOURNAL OF CHEMICAL PHYSICS 114 (19): 8583-8595 Brivio GP; Grimley TB; Trioni MI Inelastic effects in dissociative sticking of diatomic molecules on metals | 1 | 4 |
5424 | 11 | 89 | 14830 2001 JOURNAL OF CHEMICAL PHYSICS 114 (22): 9706-9719 Borjesson U; Hunenberger PH Explicit-solvent molecular dynamics simulation at constant pH: Methodology and application to small amines | 1 | 16 |
5425 | 4 | 27 | 14831 2001 JOURNAL OF CHEMICAL PHYSICS 115 (3): 1187-1196 Frolov AM; Smith VH Generalization of the exponential variational ansatz in relative coordinates for bound state calculations in four-body systems | 2 | 7 |
5426 | 7 | 59 | 14832 2001 JOURNAL OF CHEMICAL PHYSICS 115 (6): 2377-2388 Koppel H; Gronki J; Mahapatra S Construction scheme for regularized diabatic states | 4 | 13 |
5427 | 7 | 65 | 14833 2001 JOURNAL OF CHEMICAL PHYSICS 115 (8): 3673-3689 Mebel AM; Yahalom A; Englman R; Baer M The study of conical intersections between consecutive pairs of the five lowest (2)A(') states of the C2H molecule | 12 | 20 |
5428 | 8 | 101 | 14834 2001 JOURNAL OF CHEMICAL PHYSICS 115 (10): 4640-4659 Abrol R; Shaw A; Kuppermann A; Yarkony DR Accurate first-derivative nonadiabatic couplings for the H-3 system | 17 | 23 |
5429 | 5 | 41 | 14835 2001 JOURNAL OF CHEMICAL PHYSICS 115 (18): 8312-8326 Batcho PF; Schlick T New splitting formulations for lattice summations | 0 | 5 |
5430 | 2 | 32 | 14836 2001 JOURNAL OF CHEMICAL PHYSICS 115 (20): 9421-9426 Pastorino C; Gamba Z Toward an anisotropic atom-atom model for the crystalline phases of the molecular S-8 compound | 1 | 1 |
# | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
5431 | 9 | 46 | 14837 2001 JOURNAL OF CHEMICAL PHYSICS 115 (23): 10636-10646 Hofinger S; Steinhauser O Making use of Connolly's molecular surface program in the isodensity adapted polarizable continuum model | 1 | 2 |
5432 | 20 | 78 | 14838 2001 JOURNAL OF CHEMICAL PHYSICS 115 (23): 10780-10792 Boresch S; Steinhauser O The dielectric self-consistent field method. I. Highways, byways, and illustrative results | 4 | 5 |
5433 | 15 | 51 | 14839 2001 JOURNAL OF CHEMICAL PHYSICS 115 (23): 10793-10807 Boresch S; Steinhauser O The dielectric self-consistent field method. II. Application to the study of finite range effects | 3 | 5 |
5434 | 2 | 32 | 15177 2002 JOURNAL OF CHEMICAL PHYSICS 116 (1): 275-280 Kang JK; Musgrave CB The mechanism of HF/H2O chemical etching of SiO2 | 0 | 4 |
5435 | 1 | 51 | 15178 2002 JOURNAL OF CHEMICAL PHYSICS 116 (2): 547-560 ter Steege DHA; Wirtz AC; Buma WJ Vibronic coupling in excited states of acetone | 0 | 4 |
5436 | 11 | 67 | 15179 2002 JOURNAL OF CHEMICAL PHYSICS 116 (3): 1035-1062 Abrol R; Kuppermann A An optimal adiabatic-to-diabatic transformation of the 1 (2)A ' and 2 (2)A ' states of H-3 | 16 | 27 |
5437 | 6 | 27 | 15180 2002 JOURNAL OF CHEMICAL PHYSICS 116 (5): 2004-2010 Egorov SA Local density augmentation in attractive supercritical solutions. III. How important is the solute-solvent interaction range? | 0 | 7 |
5438 | 3 | 26 | 15181 2002 JOURNAL OF CHEMICAL PHYSICS 116 (5): 2121-2124 Tsuchiya T; Kawamura K Ab initio study of pressure effect on elastic properties of crystalline Au | 1 | 6 |
5439 | 3 | 18 | 15182 2002 JOURNAL OF CHEMICAL PHYSICS 116 (7): 2825-2835 Matsika S; Yarkony DR Spin-orbit coupling and conical intersections in molecules with an odd number of electrons. III. A perturbative determination of the electronic energies, derivative couplings and a rigorous diabatic representation near a conical intersection | 5 | 12 |
5440 | 9 | 52 | 15183 2002 JOURNAL OF CHEMICAL PHYSICS 116 (7): 2936-2944 Sandberg L; Edholm O Nonlinear response effects in continuum models of the hydration of ions | 2 | 6 |
# | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
5441 | 1 | 21 | 15184 2002 JOURNAL OF CHEMICAL PHYSICS 116 (10): 3963-3966 Yagi K; Taketsugu T; Hirao K A new analytic form of ab initio potential energy function: An application to H2O | 1 | 7 |
5442 | 2 | 24 | 15185 2002 JOURNAL OF CHEMICAL PHYSICS 116 (13): 5395-5400 Belyaev AK; Dalgarno A; McCarroll R The dependence of nonadiabatic couplings on the origin of electron coordinates | 3 | 3 |
5443 | 6 | 61 | 15186 2002 JOURNAL OF CHEMICAL PHYSICS 116 (13): 5731-5737 Sarkas HW; Arnold ST; Eaton JG; Lee GH; Bowen KH Ammonia cluster anions and their relationship to ammoniated (solvated) electrons: The photoelectron spectra of (NH3)(-)(n=41-1100) | 0 | 6 |
5444 | 7 | 61 | 15187 2002 JOURNAL OF CHEMICAL PHYSICS 116 (15): 6427-6434 Ligabue A; Lazzeretti P; Varela MPB; Ferraro MB On the resolution of the optical rotatory power of chiral molecules into atomic terms. A study of hydrogen peroxide | 0 | 3 |
5445 | 1 | 38 | 15188 2002 JOURNAL OF CHEMICAL PHYSICS 116 (17): 7558-7563 Laarmann T; Kanaev A; von Haeften K; Wabnitz H; von Pietrowski R; et al. Evolution of the charge localization process in xenon cluster ions: From tetramer to dimer cores as a function of cluster size | 0 | 1 |
5446 | 6 | 32 | 15189 2002 JOURNAL OF CHEMICAL PHYSICS 116 (19): 8483-8491 Fridrikh SV; Lipson JEG Square-well fluids: The statistical and thermodynamic properties of short chains | 3 | 3 |
5447 | 22 | 85 | 15190 2002 JOURNAL OF CHEMICAL PHYSICS 116 (23): 10129-10138 Chipman DM Energy correction to simulation of volume polarization in reaction field theory | 0 | 16 |
5448 | 7 | 33 | 15191 2002 JOURNAL OF CHEMICAL PHYSICS 116 (24): 10606-10614 Lee MS; Salsbury FR; Brooks CL Novel generalized Born methods | 7 | 52 |
5449 | 4 | 58 | 15192 2002 JOURNAL OF CHEMICAL PHYSICS 117 (2): 756-765 Blum L Scaling for mixtures of hard ions and dipoles in the mean spherical approximation | 0 | 7 |
5450 | 15 | 87 | 15193 2002 JOURNAL OF CHEMICAL PHYSICS 117 (3): 965-979 Pendas AM Stress, virial, and pressure in the theory of atoms in molecules | 0 | 2 |
# | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
5451 | 16 | 59 | 15194 2002 JOURNAL OF CHEMICAL PHYSICS 117 (3): 991-1000 Mebel AM; Halasz GJ; Vibok A; Alijah A; Baer M Quantization of the 3x3 nonadiabatic coupling matrix for three coupled states of the C2H molecule | 9 | 13 |
5452 | 12 | 89 | 15195 2002 JOURNAL OF CHEMICAL PHYSICS 117 (4): 1416-1433 Tabacchi G; Mundy CJ; Hutter J; Parrinello M Classical polarizable force fields parametrized from ab initio calculations | 0 | 11 |
5453 | 6 | 62 | 15196 2002 JOURNAL OF CHEMICAL PHYSICS 117 (6): 2645-2656 Doscher M; Koppel H; Szalay PG Multistate vibronic interactions in the benzene radical cation. I. Electronic structure calculations | 0 | 10 |
5454 | 10 | 116 | 15197 2002 JOURNAL OF CHEMICAL PHYSICS 117 (6): 2762-2770 Shoeib T; Ruggiero GD; Siu KWM; Hopkinson AC; Williams IH A hybrid quantum mechanical molecular mechanical method: Application to hydration free energy calculations | 1 | 9 |
5455 | 4 | 28 | 15198 2002 JOURNAL OF CHEMICAL PHYSICS 117 (6): 2897-2901 Stoyanov NS; Ward DW; Feurer T; Nelson KA Direct visualization of phonon-polariton focusing and amplitude enhancement | 0 | 2 |
5456 | 3 | 30 | 15199 2002 JOURNAL OF CHEMICAL PHYSICS 117 (12): 5859-5865 Tsuchiya T; Kawamura K First-principles study of systematics of high-pressure elasticity in rare gas solids, Ne, Ar, Kr, and Xe | 2 | 6 |
5457 | 4 | 31 | 15200 2002 JOURNAL OF CHEMICAL PHYSICS 117 (15): 7198-7206 Matsika S; Yarkony DR Photodissociation of the vinoxy radical through conical, and avoided, intersections | 0 | 7 |
5458 | 13 | 30 | 15201 2002 JOURNAL OF CHEMICAL PHYSICS 117 (16): 7405-7408 Baer R Born-Oppenheimer invariants along nuclear configuration paths | 5 | 6 |
5459 | 3 | 44 | 15202 2002 JOURNAL OF CHEMICAL PHYSICS 117 (16): 7649-7658 Buxton GA; Balazs AC Lattice spring model of filled polymers and nanocomposites | 2 | 11 |
5460 | 6 | 29 | 15203 2002 JOURNAL OF CHEMICAL PHYSICS 117 (20): 9111-9115 Barnes CD; Kofke DA A comparison of some variational formulas for the free energy as applied to hard-sphere crystals | 0 | 0 |
# | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
5461 | 1 | 40 | 15531 2003 JOURNAL OF CHEMICAL PHYSICS 118 (2): 719-727 Mayanovic RA; Jayanetti S; Anderson AJ; Bassett WA; Chou IM Relaxation of the structure of simple metal ion complexes in aqueous solutions at up to supercritical conditions | 0 | 5 |
5462 | 4 | 56 | 15532 2003 JOURNAL OF CHEMICAL PHYSICS 118 (2): 807-815 Della Valle RG; Venuti E; Brillante A; Girlando A Inherent structures of crystalline pentacene | 1 | 12 |
5463 | 7 | 19 | 15533 2003 JOURNAL OF CHEMICAL PHYSICS 118 (3): 1119-1127 Nakai H; Sodeyama K Many-body effects in nonadiabatic molecular theory for simultaneous determination of nuclear and electronic wave functions: Ab initio NOMO/MBPT and CC methods | 1 | 6 |
5464 | 4 | 35 | 15534 2003 JOURNAL OF CHEMICAL PHYSICS 118 (3): 1333-1340 Dorman VL; Jordan PC Ion-water interaction potentials in the semimicroscopic model | 1 | 5 |
5465 | 2 | 38 | 15535 2003 JOURNAL OF CHEMICAL PHYSICS 118 (4): 1653-1660 Yagi K; Oyanagi C; Taketsugu T; Hirao K Ab initio potential energy surface for vibrational state calculations of H2CO | 0 | 7 |
5466 | 4 | 31 | 15536 2003 JOURNAL OF CHEMICAL PHYSICS 118 (4): 1859-1862 Milischuk A; Matyushov DV On the validity of dielectric continuum models in application to solvation in molecular solvents | 1 | 5 |
5467 | 13 | 66 | 15537 2003 JOURNAL OF CHEMICAL PHYSICS 118 (5): 2039-2056 Egwolf B; Tavan P Continuum description of solvent dielectrics in molecular-dynamics simulations of proteins | 0 | 1 |
5468 | 11 | 90 | 15538 2003 JOURNAL OF CHEMICAL PHYSICS 118 (5): 2308-2324 Pyper NC The cohesive energetics of solid cesium chloride | 0 | 2 |
5469 | 2 | 9 | 15539 2003 JOURNAL OF CHEMICAL PHYSICS 118 (7): 3439-3440 Suffritti GB; Demontis P; Ciccotti G Comment on "Does lattice vibration drive diffusion in zeolites?" [J. Chem. Phys. 114, 3776 (2001)] | 0 | 3 |
5470 | 2 | 33 | 15540 2003 JOURNAL OF CHEMICAL PHYSICS 118 (8): 3480-3490 Cho MH Correlation between electronic and molecular structure distortions and vibrational properties. I. Adiabatic approximations | 0 | 13 |
# | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
5471 | 5 | 57 | 15541 2003 JOURNAL OF CHEMICAL PHYSICS 118 (10): 4517-4538 Jungen C; Huber KP; Jungen M; Stark G The near-threshold absorption spectrum of N-2 | 0 | 3 |
5472 | 2 | 57 | 15542 2003 JOURNAL OF CHEMICAL PHYSICS 118 (12): 5484-5495 Colavecchia FD; Burke JP; Stevens WJ; Salazar MR; Parker GA; et al. The potential energy surface for spin-aligned Li-3(1 (4)A(')) and the potential energy curve for spin-aligned Li-2(a (3)Sigma(+)(u)) | 0 | 3 |
5473 | 8 | 78 | 15543 2003 JOURNAL OF CHEMICAL PHYSICS 118 (17): 7921-7929 Chialvo AA; Simonson JM Aqueous Na+Cl-pair association from liquidlike to steamlike densities along near-critical isotherms | 0 | 2 |
5474 | 2 | 24 | 15544 2003 JOURNAL OF CHEMICAL PHYSICS 118 (21): 9680-9688 Agrawal PM; Rice BM; Thompson DL Molecular dynamics study of the effects of voids and pressure in defect-nucleated melting simulations | 0 | 5 |
5475 | 13 | 61 | 15545 2003 JOURNAL OF CHEMICAL PHYSICS 118 (21): 9719-9725 Chowdhuri S; Chandra A Hydration structure and diffusion of ions in supercooled water: Ion size effects | 0 | 3 |
5476 | 7 | 57 | 15546 2003 JOURNAL OF CHEMICAL PHYSICS 118 (24): 10847-10860 Mathias G; Egwolf B; Nonella M; Tavan P A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water | 0 | 7 |
5477 | 0 | 28 | 15547 2003 JOURNAL OF CHEMICAL PHYSICS 119 (2): 672-679 Erdmann M; Marquetand P; Engel V Combined electronic and nuclear dynamics in a simple model system | 1 | 2 |
5478 | 6 | 53 | 15548 2003 JOURNAL OF CHEMICAL PHYSICS 119 (2): 939-946 Wojciechowski KW; Tretiakov KV; Branka AC; Kowalik M Elastic properties of two-dimensional hard disks in the close-packing limit | 0 | 3 |
5479 | 2 | 42 | 15549 2003 JOURNAL OF CHEMICAL PHYSICS 119 (2): 1223-1231 Cai J; Prausnitz JM Conformation of a diblock or random square-well copolymer in dilute solution | 0 | 0 |
5480 | 3 | 32 | 15550 2003 JOURNAL OF CHEMICAL PHYSICS 119 (4): 2147-2154 Pastorino C; Gamba Z Free-energy calculations of elemental sulphur crystals via molecular dynamics simulations | 0 | 0 |
# | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
5481 | 4 | 51 | 15551 2003 JOURNAL OF CHEMICAL PHYSICS 119 (6): 3262-3277 Reimers JR; Hush NS Modeling the bacterial photosynthetic reaction center. VII. Full simulation of the intervalence hole-transfer absorption spectrum of the special-pair radical cation | 0 | 6 |
5482 | 3 | 30 | 15552 2003 JOURNAL OF CHEMICAL PHYSICS 119 (7): 3810-3819 Fantoni R; Pastore G Generating functionals, consistency, and uniqueness in the integral equation theory of liquids | 0 | 1 |
5483 | 6 | 20 | 15553 2003 JOURNAL OF CHEMICAL PHYSICS 119 (7): 3883-3890 Porter JA; Fridrikh SV; Lipson JEG Square-well chain fluids: The thermodynamic properties of hexamers, octamers, and hexadecamers | 2 | 2 |
5484 | 2 | 42 | 15554 2003 JOURNAL OF CHEMICAL PHYSICS 119 (7): 4018-4025 Cai J; Prausnitz JM An integral-equation theory for a self-interacting polymer adsorbed at an interface | 0 | 0 |
5485 | 4 | 36 | 15555 2003 JOURNAL OF CHEMICAL PHYSICS 119 (9): 4817-4826 Grycuk T Deficiency of the Coulomb-field approximation in the generalized Born model: An improved formula for Born radii evaluation | 4 | 6 |
5486 | 2 | 84 | 15556 2003 JOURNAL OF CHEMICAL PHYSICS 119 (9): 4842-4856 Jimenez-Angeles F; Messina R; Holm C; Lozada-Cassou M Ion pairing in model electrolytes: A study via three-particle correlation functions | 0 | 1 |
5487 | 11 | 21 | 15557 2003 JOURNAL OF CHEMICAL PHYSICS 119 (14): 6998-7002 Baer R; Kouri DJ; Baer M; Hoffman DK General Born-Oppenheimer-Huang approach to systems of electrons and nuclei | 4 | 5 |
5488 | 5 | 86 | 15558 2003 JOURNAL OF CHEMICAL PHYSICS 119 (16): 8437-8448 Borrelli R; Peluso A Dynamics of radiationless transitions in large molecular systems: A Franck-Condon-based method accounting for displacements and rotations of all the normal coordinates | 0 | 2 |
5489 | 3 | 35 | 15559 2003 JOURNAL OF CHEMICAL PHYSICS 119 (17): 8833-8841 Harris FE; Frolov AM; Smith VH Exponential variational expansion in relative coordinates for highly accurate bound state calculations in four-body systems | 0 | 7 |
5490 | 19 | 96 | 15560 2003 JOURNAL OF CHEMICAL PHYSICS 119 (17): 9129-9144 Bergdorf M; Peter C; Hunenberger PH Influence of cut-off truncation and artificial periodicity of electrostatic interactions in molecular simulations of solvated ions: A continuum electrostatics study | 0 | 6 |
# | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
5491 | 5 | 42 | 15561 2003 JOURNAL OF CHEMICAL PHYSICS 119 (18): 9673-9685 Tangney P; Scandolo S A many-body interatomic potential for ionic systems: Application to MgO | 0 | 2 |
5492 | 2 | 74 | 15562 2003 JOURNAL OF CHEMICAL PHYSICS 119 (20): 10724-10732 Marquardt R; Quack M; Thanopulos I; Luckhaus D A global electric dipole function of ammonia and isotopomers in the electronic ground state | 0 | 5 |
5493 | 16 | 78 | 15563 2003 JOURNAL OF CHEMICAL PHYSICS 119 (23): 12205-12223 Peter C; van Gunsteren WF; Hunenberger PH A fast-Fourier transform method to solve continuum-electrostatics problems with truncated electrostatic interactions: Algorithm and application to ionic solvation and ion-ion interaction | 0 | 1 |
5494 | 18 | 54 | 15855 2004 JOURNAL OF CHEMICAL PHYSICS 120 (2): 903-911 Feig M; Im W; Brooks CL Implicit solvation based on generalized Born theory in different dielectric environments | 4 | 7 |
5495 | 14 | 47 | 15856 2004 JOURNAL OF CHEMICAL PHYSICS 120 (6): 2565-2574 Ve'rtesi T; Vibok A; Halasz GJ; Baer M On the peculiarities of the diabatic framework: New insight | 0 | 3 |
5496 | 2 | 79 | 15857 2004 JOURNAL OF CHEMICAL PHYSICS 120 (6): 2767-2773 De Groote JJ; Masili M Electron affinity of the sodium atom within the coupled-channel hyperspherical approach | 0 | 2 |
5497 | 6 | 68 | 15858 2004 JOURNAL OF CHEMICAL PHYSICS 120 (7): 3201-3214 Feuerbacher S; Sommerfeld T; Cederbaum LS Intersections of potential energy surfaces of short-lived states: The complex analogue of conical intersections | 0 | 3 |
5498 | 3 | 68 | 15859 2004 JOURNAL OF CHEMICAL PHYSICS 120 (10): 4593-4602 Hellman A; Razaznejad B; Lundqvist BI Potential-energy surfaces for excited states in extended systems | 0 | 0 |
5499 | 8 | 122 | 15860 2004 JOURNAL OF CHEMICAL PHYSICS 120 (16): 7532-7556 Matyushov DV Solvent reorganization energy of electron-transfer reactions in polar solvents | 0 | 4 |
5500 | 5 | 28 | 15861 2004 JOURNAL OF CHEMICAL PHYSICS 120 (18): 8567-8574 Dufey F Double tunneling in dipole bound anions: A model study | 0 | 0 |
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