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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 56 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 |
|---|---|---|---|---|---|
| 5501 | 8 | 117 | 15846 2004 JOURNAL OF CHEMICAL PHYSICS 121 (19): 9323-9342 Langhoff PW; Boatz JA; Hinde RJ; Sheehy JA Atomic spectral methods for molecular electronic structure calculations | 0 | 0 |
| 5502 | 2 | 152 | 15847 2004 JOURNAL OF CHEMICAL PHYSICS 121 (19): 9549-9564 Yu HB; van Gunsteren WF Charge-on-spring polarizable water models revisited: From water clusters to liquid water to ice | 0 | 1 |
| 5503 | 5 | 79 | 15848 2004 JOURNAL OF CHEMICAL PHYSICS 121 (23): 11572-11580 Roman E; Martens CC Semiclassical Liouville method for the simulation of electronic transitions: Single ensemble formulation | 0 | 0 |
| 5504 | 2 | 37 | 15849 2004 JOURNAL OF CHEMICAL PHYSICS 121 (24): 12315-12322 Hernandez-Rojas J; Breton J; Llorente JMG; Wales DJ Lowest-energy structures of (C-60)(n)X (X=Li+,Na+,K+,Cl-) and (C-60)(n)YCl (Y=Li,Na,K) clusters for n <= 13 | 0 | 0 |
| 5505 | 13 | 41 | 16119 2005 JOURNAL OF CHEMICAL PHYSICS 122 (1): Art. No. 014512 Yamaguchi T; Matsuoka T; Koda S Molecular dynamics simulation study on the transient response of solvation structure during the translational diffusion of solute | 0 | 0 |
| 5506 | 14 | 83 | 16120 2005 JOURNAL OF CHEMICAL PHYSICS 122 (2): Art. No. 024506 Grossfield A Dependence of ion hydration on the sign of the ion's charge | 0 | 0 |
| 5507 | 3 | 40 | 16121 2005 JOURNAL OF CHEMICAL PHYSICS 122 (8): Art. No. 084110 Balint-Kurti GG; Manby FR; Ren QH; Artamonov M; Ho TS; et al. Quantum control of molecular motion including electronic polarization effects with a two-stage toolkit | 0 | 0 |
| 5508 | 5 | 35 | 16122 2005 JOURNAL OF CHEMICAL PHYSICS 122 (9): Art. No. 094102 Parandekar PV; Tully JC Mixed quantum-classical equilibrium | 0 | 0 |
| 5509 | 7 | 25 | 16123 2005 JOURNAL OF CHEMICAL PHYSICS 122 (9): Art. No. 094906 Porter JA; Lipson JEG The effect of density on the properties of short chain fluids | 0 | 0 |
| 5510 | 2 | 57 | 16124 2005 JOURNAL OF CHEMICAL PHYSICS 122 (10): Art. No. 104313 Matthews J; Sinha A State-resolved unimolecular dissociation of cis-cis HOONO: Product state distributions and action spectrum in the 2 nu(OH) band region | 0 | 0 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5511 | 18 | 103 | 16125 2005 JOURNAL OF CHEMICAL PHYSICS 122 (12): Art. No. 124706 Tanizaki S; Feig M A generalized Born formalism for heterogeneous dielectric environments: Application to the implicit modeling of biological membranes | 0 | 0 |
| 5512 | 4 | 22 | 14818 2001 JOURNAL OF CHEMICAL RESEARCH-S (12): 530-533 el-Naggar GA; el-Batouti M Solute-solvent effects on the dissociation of oxalic acid in aqueous mixtures of ethylene glycol solvent at different temperatures | 0 | 0 |
| 5513 | 3 | 33 | 8762 1981 JOURNAL OF CHEMICAL THERMODYNAMICS 13 (11): 1047-1073 SMITHMAGOWAN D; WOOD RH HEAT-CAPACITY OF AQUEOUS SODIUM-CHLORIDE FROM 320-K TO 600-K MEASURED WITH A NEW FLOW CALORIMETER | 8 | 106 |
| 5514 | 4 | 32 | 10485 1987 JOURNAL OF CHEMICAL THERMODYNAMICS 19 (2): 131-146 GATES JA; TILLETT DM; WHITE DE; WOOD RH APPARENT MOLAR HEAT-CAPACITIES OF AQUEOUS NACL SOLUTIONS FROM 0.05 TO 3.0 MOL.KG-1, 350-K TO 600-K, AND 2 TO 18 MPA | 4 | 34 |
| 5515 | 4 | 24 | 10486 1987 JOURNAL OF CHEMICAL THERMODYNAMICS 19 (4): 407-415 ARCHER DG HEAT-CAPACITIES OF AQUEOUS DECYL AND DODECYL-TRIMETHYLAMMONIUM BROMIDES FROM 324.6-K TO 374.6-K | 0 | 6 |
| 5516 | 3 | 28 | 10487 1987 JOURNAL OF CHEMICAL THERMODYNAMICS 19 (11): 1173-1182 BROWN RJC; CALLANAN JE; WEIR RD; WESTRUM EF THE THERMODYNAMICS OF AMMONIUM SCHEELITES .6. AN ANALYSIS OF THE HEAT-CAPACITY AND ANCILLARY VALUES FOR THE METAPERIODATES KIO4, NH4IO4, AND ND4IO4 | 0 | 15 |
| 5517 | 12 | 81 | 12457 1994 JOURNAL OF CHEMICAL THERMODYNAMICS 26 (3): 225-249 WOOD RH; CARTER RW; QUINT JR; MAJER V; THOMPSON PT; et al. AQUEOUS-ELECTROLYTES AT HIGH-TEMPERATURES - COMPARISON OF EXPERIMENT WITH SIMULATION AND CONTINUUM MODELS | 5 | 30 |
| 5518 | 7 | 35 | 13443 1997 JOURNAL OF CHEMICAL THERMODYNAMICS 29 (3): 311-336 Komada N; Westrum EF Modeling lattice heat-capacity contributions by a single-parametric phonon dispersion approach | 2 | 6 |
| 5519 | 4 | 37 | 14486 2000 JOURNAL OF CHEMICAL THERMODYNAMICS 32 (1): 107-122 Manzoni A; Mussini PR; Mussini T Thermodynamics of the amalgam cell {KxHg1-x vertical bar KCl(m)vertical bar AgCl vertical bar Ag} and primary medium effects upon KCl in {ethylene glycol plus water}, {acetonitrile plus water}, and {1,4-dioxane plus water} solvent mixtures | 1 | 1 |
| 5520 | 7 | 56 | 14487 2000 JOURNAL OF CHEMICAL THERMODYNAMICS 32 (5): 597-616 Mussini PR; Mussini T; Sala B Thermodynamics of the cell {Li-Amalgam vertical bar LiX (m)vertical bar AgX vertical bar Ag} (X = Cl,Br) and medium effects upon LiX in (acetonitrile plus water), (1,4-dioxane plus water), and (methanol plus water) solvent mixtures with related solvation parameters | 0 | 1 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5521 | 1 | 71 | 12150 1993 JOURNAL OF CHEMOMETRICS 7 (6): 455-475 STONE M; JONATHAN P STATISTICAL THINKING AND TECHNIQUE FOR QSAR AND RELATED STUDIES .1. GENERAL-THEORY | 0 | 16 |
| 5522 | 1 | 22 | 7849 1978 JOURNAL OF CHROMATOGRAPHY 154 (2): 161-174 GELSEMA WJ; DELIGNY CL; VANDERVEEN NG ISOELECTRIC-FOCUSING AS A METHOD FOR CHARACTERIZATION OF AMPHOLYTES .3. ISOELECTRIC POINTS OF CARRIER AMPHOLYTES AND DISSOCIATION-CONSTANTS OF SOME CARBOXYLIC-ACIDS AND ALKYL-SUBSTITUTED AMMONIUM-IONS IN SUCROSE-WATER, GLYCEROL-WATER AND ETHYLENE GLYCOL-WATER MIXTURES | 0 | 23 |
| 5523 | 0 | 8 | 9638 1984 JOURNAL OF CHROMATOGRAPHY 286 (MAR): 31-36 MIERTUS S; MIERTUSOVA J THEORETICAL AND EXPERIMENTAL-STUDY OF THE SORPTION PROCESSES OF GASES ON NAY ZEOLITES | 1 | 3 |
| 5524 | 5 | 30 | 14154 1999 JOURNAL OF CHROMATOGRAPHY A 833 (2): 245-259 Sarmini K; Kenndler E Capillary zone electrophoresis in mixed aqueous-organic media: effect of organic solvents on actual ionic mobilities and acidity constants of substituted aromatic acids IV. Acetonitrile | 3 | 40 |
| 5525 | 9 | 57 | 14819 2001 JOURNAL OF CHROMATOGRAPHY A 908 (1-2): 215-221 Torrens F Calculation of partition coefficient and hydrophobic moment of the secondary structure of lysozyme | 2 | 5 |
| 5526 | 4 | 98 | 13137 1996 JOURNAL OF CHROMATOGRAPHY B-BIOMEDICAL APPLICATIONS 680 (1-2): 3-30 Cabezas H Theory of phase formation in aqueous two-phase systems | 0 | 18 |
| 5527 | 1 | 20 | 4427 1967 JOURNAL OF COLLOID AND INTERFACE SCIENCE 25 (2): 161-& WHALLEY E; BERTIE JE FAR INFRARED SPECTRUM AND LONG-RANGE FORCES IN ICE | 1 | 5 |
| 5528 | 9 | 76 | 5053 1969 JOURNAL OF COLLOID AND INTERFACE SCIENCE 30 (2): 159-& KIELICH S NONLINEAR MAGNETOOPTICS OF COLLOIDS | 0 | 5 |
| 5529 | 4 | 39 | 5982 1972 JOURNAL OF COLLOID AND INTERFACE SCIENCE 40 (1): 65-& JAMES RO; HEALY TW ADSORPTION OF HYDROLYZABLE METAL-IONS AT OXIDE-WATER INTERFACE .3. THERMODYNAMIC MODEL OF ADSORPTION | 1 | 431 |
| 5530 | 0 | 47 | 5983 1972 JOURNAL OF COLLOID AND INTERFACE SCIENCE 40 (1): 82-& PUJADO PR; SCRIVEN LE SESSILE LENTICULAR CONFIGURATIONS - TRANSLATIONALLY AND ROTATIONALLY SYMMETRIC LENSES | 0 | 43 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5531 | 1 | 28 | 6313 1973 JOURNAL OF COLLOID AND INTERFACE SCIENCE 45 (3): 566-572 CHOW TS; HERMANS JJ RANDOM FORCE CORRELATION-FUNCTION FOR A CHARGED-PARTICLE IN AN ELECTROLYTE SOLUTION | 0 | 3 |
| 5532 | 2 | 43 | 8154 1979 JOURNAL OF COLLOID AND INTERFACE SCIENCE 68 (1): 101-110 CEROFOLINI GF CONCEPT OF ADPHASE | 0 | 5 |
| 5533 | 3 | 41 | 8442 1980 JOURNAL OF COLLOID AND INTERFACE SCIENCE 75 (2): 555-565 LEE N; KEESEE RG; CASTLEMAN AW ON THE CORRELATION OF TOTAL AND PARTIAL ENTHALPIES OF ION SOLVATION AND THE RELATIONSHIP TO THE ENERGY BARRIER TO NUCLEATION | 9 | 58 |
| 5534 | 2 | 66 | 9072 1982 JOURNAL OF COLLOID AND INTERFACE SCIENCE 87 (1): 180-203 KIM SS; STEIN GD CREATION AND STRUCTURE STUDY OF VACUUM ISOLATED CLUSTERS OF ARGON, KRYPTON, AND XENON | 0 | 23 |
| 5535 | 0 | 20 | 10243 1986 JOURNAL OF COLLOID AND INTERFACE SCIENCE 109 (1): 90-100 GAY JG; BERNE BJ ENERGY ACCOMMODATION IN COLLISIONS OF SMALL PARTICLES | 0 | 16 |
| 5536 | 4 | 56 | 10244 1986 JOURNAL OF COLLOID AND INTERFACE SCIENCE 111 (1): 75-93 DOBEK A; DEPREZ J OPTICAL KERR EFFECT INDUCED BY PICOSECOND LIGHT-PULSES IN TRANSFER-RNA SOLUTIONS | 0 | 5 |
| 5537 | 2 | 33 | 11016 1989 JOURNAL OF COLLOID AND INTERFACE SCIENCE 129 (1): 91-104 BALOCH KM; VANDEVEN TGM TRANSIENT LIGHT-SCATTERING OF SUSPENSIONS OF CHARGED NONSPHERICAL PARTICLES SUBJECTED TO AN ELECTRIC-FIELD | 0 | 7 |
| 5538 | 0 | 21 | 12151 1993 JOURNAL OF COLLOID AND INTERFACE SCIENCE 155 (1): 221-225 RABINOVICH YI; GUZONAS DA; YOON RH AN INFRARED INVESTIGATION OF THE STRUCTURE OF LANGMUIR-BLODGETT-FILMS OF DIMETHYLDIOCTADECYLAMMONIUM BROMIDE (DDOAB) ON SILICON IN WATER | 0 | 11 |
| 5539 | 3 | 17 | 12152 1993 JOURNAL OF COLLOID AND INTERFACE SCIENCE 160 (1): 258-259 BABCHIN AJ; MASLIYAH J MODIFIED NERNST-PLANCK EQUATION FOR HYDRATION EFFECTS | 1 | 2 |
| 5540 | 1 | 26 | 12458 1994 JOURNAL OF COLLOID AND INTERFACE SCIENCE 165 (2): 355-366 BASU S; SHARMA MM EFFECT OF DIELECTRIC SATURATION ON DISJOINING PRESSURE IN THIN-FILMS OF AQUEOUS-ELECTROLYTES | 4 | 30 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5541 | 1 | 68 | 12459 1994 JOURNAL OF COLLOID AND INTERFACE SCIENCE 167 (1): 186-192 ZHMUD BV; GOLUB AA PROTOLYTIC EQUILIBRIA OF LIGANDS IMMOBILIZED AT RIGID MATRIX SURFACES - A THEORETICAL-STUDY | 2 | 15 |
| 5542 | 2 | 45 | 13138 1996 JOURNAL OF COLLOID AND INTERFACE SCIENCE 179 (2): 600-607 Ketelson HA; Pelton R; Brook MA Colloidal stability of Stober silica in acetone-water mixtures | 0 | 8 |
| 5543 | 2 | 33 | 13139 1996 JOURNAL OF COLLOID AND INTERFACE SCIENCE 182 (1): 239-248 Paunov VN; Dimova RI; Kralchevsky PA; Broze G; Mehreteab A The hydration repulsion between charged surfaces as an interplay of volume exclusion and dielectric saturation effects | 0 | 15 |
| 5544 | 4 | 18 | 13140 1996 JOURNAL OF COLLOID AND INTERFACE SCIENCE 183 (1): 111-117 Zhmud BV Charge regulation at the surface of porous solids: A comparison between the results obtained using different potential-to-charge relations | 1 | 11 |
| 5545 | 0 | 21 | 13444 1997 JOURNAL OF COLLOID AND INTERFACE SCIENCE 189 (1): 151-157 Delfort B; Born M; Chive A; Barre L Colloidal calcium hydroxide in organic medium: Synthesis and analysis | 1 | 8 |
| 5546 | 3 | 30 | 14155 1999 JOURNAL OF COLLOID AND INTERFACE SCIENCE 218 (1): 243-259 Hijnen HJM; Smit JAM Theoretical and experimental study of the voltage-current characteristic of an asymmetric cellulose acetate membrane | 0 | 1 |
| 5547 | 1 | 19 | 15542 2003 JOURNAL OF COLLOID AND INTERFACE SCIENCE 268 (2): 371-379 Lopez-Garcia JJ; Horno J; Grosse C Suspended particles surrounded by an inhomogeneously charged permeable membrane. Solution of the Poisson-Boltzmann equation by means of the network method | 0 | 1 |
| 5548 | 0 | 19 | 14156 1999 JOURNAL OF COMMUNICATIONS TECHNOLOGY AND ELECTRONICS 44 (3): 317-322 Vinogradov AP; Makhnovskii DP; Rozanov KN Effective boundary layer in composite materials | 1 | 4 |
| 5549 | 0 | 14 | 15182 2002 JOURNAL OF COMMUNICATIONS TECHNOLOGY AND ELECTRONICS 47 (5): 517-519 Vinogradov AP; Skidanov II Generalization of Drude's formulas for the transition layer to chiral media | 0 | 0 |
| 5550 | 0 | 7 | 4731 1968 JOURNAL OF COMPOSITE MATERIALS 2 (1): 2-& BEHRENS E THERMAL CONDUCTIVITIES OF COMPOSITE MATERIALS | 0 | 57 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5551 | 0 | 126 | 15183 2002 JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS 149 (1): 27-56 Freeman AJ Materials by design and the exciting role of quantum computation/simulation | 0 | 2 |
| 5552 | 3 | 22 | 9346 1983 JOURNAL OF COMPUTATIONAL CHEMISTRY 4 (2): 218-225 KOBEISSI H; DAGHER M; KOREK M; CHAALAN A A NEW TREATMENT OF THE VIBRATION-ROTATION EIGENVALUE PROBLEM FOR A DIATOMIC MOLECULE | 1 | 16 |
| 5553 | 11 | 83 | 9946 1985 JOURNAL OF COMPUTATIONAL CHEMISTRY 6 (2): 93-107 GOWDA BT; SHERIGARA BS; BENSON SW POTENTIAL FUNCTIONS FOR ALKALI-HALIDE MOLECULES | 1 | 10 |
| 5554 | 5 | 19 | 9947 1985 JOURNAL OF COMPUTATIONAL CHEMISTRY 6 (5): 481-485 GERSTEN JI; SAPSE AM SOLVENT-EFFECT INVESTIGATIONS THROUGH THE USE OF AN EXTENDED BORN EQUATION | 1 | 3 |
| 5555 | 3 | 10 | 10245 1986 JOURNAL OF COMPUTATIONAL CHEMISTRY 7 (5): 648-656 EHRENSON S OFF CENTER MOLECULAR CHARGE-DISTRIBUTION CORRECTIONS TO BORN EQUATION ELECTROSTATIC SOLVATION ENERGIES | 0 | 0 |
| 5556 | 4 | 29 | 11017 1989 JOURNAL OF COMPUTATIONAL CHEMISTRY 10 (1): 77-93 EHRENSON S CONTINUUM RADIAL DIELECTRIC FUNCTIONS FOR ION AND DIPOLE SOLUTION SYSTEMS | 13 | 29 |
| 5557 | 1 | 87 | 11018 1989 JOURNAL OF COMPUTATIONAL CHEMISTRY 10 (3): 329-343 HAFELINGER G; REGELMANN CU; KRYGOWSKI TM; WOZNIAK K BASIS SET DEPENDENCE, PRECISION, AND ACCURACY OF FULL ABINITIO GRADIENT OPTIMIZATIONS OF MOLECULAR-STRUCTURES OF NONSTRAINED HYDROCARBONS .1. CC BOND LENGTHS | 0 | 25 |
| 5558 | 1 | 127 | 11285 1990 JOURNAL OF COMPUTATIONAL CHEMISTRY 11 (6): 700-733 FIELD MJ; BASH PA; KARPLUS M A COMBINED QUANTUM-MECHANICAL AND MOLECULAR MECHANICAL POTENTIAL FOR MOLECULAR-DYNAMICS SIMULATIONS | 32 | 697 |
| 5559 | 5 | 67 | 11545 1991 JOURNAL OF COMPUTATIONAL CHEMISTRY 12 (1): 42-51 BOUDON S; WIPFF G FREE-ENERGY CALCULATIONS INVOLVING NH4+ IN WATER | 9 | 14 |
| 5560 | 2 | 36 | 11546 1991 JOURNAL OF COMPUTATIONAL CHEMISTRY 12 (9): 1089-1096 LEHD M; JENSEN F A GENERAL PROCEDURE FOR OBTAINING WAVE-FUNCTIONS OBEYING THE VIRIAL-THEOREM | 1 | 4 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5561 | 11 | 67 | 11861 1992 JOURNAL OF COMPUTATIONAL CHEMISTRY 13 (2): 115-134 DELVALLE FJO; AGUILAR MA CORRELATION AND SOLVATION EFFECTS .4. A SYSTEMATIC ANALYSIS OF THE INFLUENCE OF CAVITY SIZE AND SHAPE ON SOLVATION PROPERTIES IN THE POLARIZABLE CONTINUUM MODEL WITH ELECTRON CORRELATION | 8 | 23 |
| 5562 | 7 | 37 | 11862 1992 JOURNAL OF COMPUTATIONAL CHEMISTRY 13 (9): 1089-1097 CRAMER CJ; TRUHLAR DG PM3-SM3 - A GENERAL PARAMETERIZATION FOR INCLUDING AQUEOUS SOLVATION EFFECTS IN THE PM3 MOLECULAR-ORBITAL MODEL | 19 | 159 |
| 5563 | 4 | 20 | 12153 1993 JOURNAL OF COMPUTATIONAL CHEMISTRY 14 (12): 1417-1422 BRUCCOLERI RE GRID POSITIONING INDEPENDENCE AND THE REDUCTION OF SELF-ENERGY IN THE SOLUTION OF THE POISSON-BOLTZMANN EQUATION | 7 | 30 |
| 5564 | 1 | 53 | 12460 1994 JOURNAL OF COMPUTATIONAL CHEMISTRY 15 (10): 1064-1073 BECK B; RAUHUT G; CLARK T THE NATURAL ATOMIC ORBITAL POINT-CHARGE MODEL FOR PM3 - MULTIPOLE MOMENTS AND MOLECULAR ELECTROSTATIC POTENTIALS | 2 | 31 |
| 5565 | 6 | 35 | 12461 1994 JOURNAL OF COMPUTATIONAL CHEMISTRY 15 (11): 1217-1227 BALDRIDGE K; FINE R; HAGLER A THE EFFECTS OF SOLVENT SCREENING IN QUANTUM-MECHANICAL CALCULATIONS IN PROTEIN SYSTEMS | 1 | 7 |
| 5566 | 9 | 91 | 12801 1995 JOURNAL OF COMPUTATIONAL CHEMISTRY 16 (1): 37-55 DEVRIES AH; VANDUIJNEN PT; JUFFER AH; RULLMANN JAC; DIJKMAN JP; et al. IMPLEMENTATION OF REACTION FIELD METHODS IN QUANTUM-CHEMISTRY COMPUTER CODES | 5 | 57 |
| 5567 | 8 | 88 | 12802 1995 JOURNAL OF COMPUTATIONAL CHEMISTRY 16 (1): 113-128 STANTON RV; HARTSOUGH DS; MERZ KM AN EXAMINATION OF A DENSITY-FUNCTIONAL MOLECULAR MECHANICAL COUPLED POTENTIAL | 4 | 63 |
| 5568 | 6 | 35 | 12803 1995 JOURNAL OF COMPUTATIONAL CHEMISTRY 16 (6): 681-689 PURISIMA EO; NILAR SH A SIMPLE YET ACCURATE BOUNDARY-ELEMENT METHOD FOR CONTINUUM DIELECTRIC CALCULATIONS | 5 | 33 |
| 5569 | 5 | 19 | 12804 1995 JOURNAL OF COMPUTATIONAL CHEMISTRY 16 (6): 723-728 DAGHER M; KOBERSI M; KOBEISSI H THE TRUE DIATOMIC POTENTIAL AS A PERTURBED MORSE FUNCTION | 0 | 3 |
| 5570 | 0 | 27 | 12805 1995 JOURNAL OF COMPUTATIONAL CHEMISTRY 16 (8): 1027-1037 MAGNUSSON E ELECTROSTATIC BONDING MODELS - A TEST ON GROUP-1 AND GROUP-2 METAL-COMPLEXES WITH H2O, NH3, H2S, PH3, AND RELATED LIGANDS | 0 | 6 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5571 | 6 | 22 | 13141 1996 JOURNAL OF COMPUTATIONAL CHEMISTRY 17 (3): 350-357 Shen J; Wendoloski J Electrostatic binding energy calculation using the finite difference solution to the linearized Poisson-Boltzmann equation: Assessment of its accuracy | 0 | 21 |
| 5572 | 3 | 19 | 13445 1997 JOURNAL OF COMPUTATIONAL CHEMISTRY 18 (2): 268-276 Bruccoleri RE; Novotny J; Davis ME Finite difference Poisson-Boltzmann electrostatic calculations: Increased accuracy achieved by harmonic dielectric smoothing and charge antialiasing | 2 | 37 |
| 5573 | 1 | 8 | 13800 1998 JOURNAL OF COMPUTATIONAL CHEMISTRY 19 (2): 168-180 Stewart JJP Symmetry groups for unit cells in solids | 0 | 5 |
| 5574 | 5 | 40 | 14157 1999 JOURNAL OF COMPUTATIONAL CHEMISTRY 20 (10): 1028-1038 Cummins PL; Gready JE Coupled semiempirical quantum mechanics and molecular mechanics (QM/MM) calculations on the aqueous solvation free energies of ionized molecules | 2 | 18 |
| 5575 | 8 | 57 | 14820 2001 JOURNAL OF COMPUTATIONAL CHEMISTRY 22 (6): 591-607 Zhang LY; Gallicchio E; Friesner RA; Levy RM Solvent models for protein-ligand binding: Comparison of implicit solvent Poisson and surface generalized born models with explicit solvent simulations | 7 | 34 |
| 5576 | 7 | 70 | 14821 2001 JOURNAL OF COMPUTATIONAL CHEMISTRY 22 (6): 608-640 Grant JA; Pickup BT; Nicholls A A smooth permittivity function for Poisson-Boltzmann solvation methods | 5 | 32 |
| 5577 | 1 | 34 | 14822 2001 JOURNAL OF COMPUTATIONAL CHEMISTRY 22 (8): 827-834 Kim CK; Won JG; Kim HS; Kang YS; Li HG; et al. Density functional theory studies on the dissociation energies of metallic salts: Relationship between lattice and dissociation energies | 0 | 18 |
| 5578 | 5 | 57 | 14823 2001 JOURNAL OF COMPUTATIONAL CHEMISTRY 22 (15): 1830-1842 Fogolari F; Esposito G; Viglino P; Molinari H Molecular mechanics and dynamics of biomolecules using a solvent continuum model | 0 | 5 |
| 5579 | 9 | 57 | 14824 2001 JOURNAL OF COMPUTATIONAL CHEMISTRY 22 (15): 1857-1879 Schaefer M; Bartels C; Leclerc F; Karplus M Effective atom volumes for implicit solvent models: Comparison between Voronoi volumes and minimum fluctuation volumes | 3 | 11 |
| 5580 | 1 | 21 | 15184 2002 JOURNAL OF COMPUTATIONAL CHEMISTRY 23 (1): 128-137 Rocchia W; Sridharan S; Nicholls A; Alexov E; Chiabrera A; et al. Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects | 5 | 50 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5581 | 9 | 24 | 15185 2002 JOURNAL OF COMPUTATIONAL CHEMISTRY 23 (14): 1297-1304 Onufriev A; Case DA; Bashford D Effective Born radii in the generalized Born approximation: The importance of being perfect | 10 | 38 |
| 5582 | 5 | 50 | 15543 2003 JOURNAL OF COMPUTATIONAL CHEMISTRY 24 (2): 209-221 Hori T; Takahashi H; Nitta T Hybrid QM/MM molecular dynamics simulations for an ionic S(N)2 reaction in the supercritical water: OH-+CH3Cl -> CH3OH+Cl- | 0 | 1 |
| 5583 | 17 | 79 | 15544 2003 JOURNAL OF COMPUTATIONAL CHEMISTRY 24 (3): 284-297 Curutchet C; Cramer CJ; Truhlar DG; Ruiz-Lopez MF; Rinaldi D; et al. Electrostatic component of solvation: Comparison of SCRF continuum models | 2 | 19 |
| 5584 | 8 | 39 | 15545 2003 JOURNAL OF COMPUTATIONAL CHEMISTRY 24 (8): 954-962 Rankin KN; Sulea T; Purisima EO On the transferability of hydration-parametrized continuum electrostatics models to solvated binding calculations | 0 | 2 |
| 5585 | 15 | 43 | 15546 2003 JOURNAL OF COMPUTATIONAL CHEMISTRY 24 (14): 1691-1702 Im WP; Lee MS; Brooks CL Generalized born model with a simple smoothing function | 4 | 15 |
| 5586 | 4 | 33 | 15547 2003 JOURNAL OF COMPUTATIONAL CHEMISTRY 24 (14): 1758-1765 Goncalves PFB; Stassen H Free energy of solvation from molecular dynamics simulations for low dielectric solvents | 0 | 0 |
| 5587 | 24 | 100 | 15850 2004 JOURNAL OF COMPUTATIONAL CHEMISTRY 25 (2): 265-284 Feig M; Onufriev A; Lee MS; Im W; Case DA; et al. Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures | 3 | 18 |
| 5588 | 6 | 44 | 15851 2004 JOURNAL OF COMPUTATIONAL CHEMISTRY 25 (4): 500-509 Li XY; Fu KX Continuous medium theory for nonequilibrium solvation: I. How to correctly evaluate solvation free energy of nonequilibrium | 1 | 5 |
| 5589 | 10 | 67 | 15852 2004 JOURNAL OF COMPUTATIONAL CHEMISTRY 25 (5): 627-631 Maurer RI; Reynolds CA A multilayered approach to approximating solute polarization | 0 | 0 |
| 5590 | 2 | 39 | 15853 2004 JOURNAL OF COMPUTATIONAL CHEMISTRY 25 (6): 888-897 Pascale F; Zicovich-Wilson CM; Gejo FL; Civalleri B; Orlando R; et al. The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code | 4 | 7 |
| # | LCR | NCR | Node / Date / Journal / Author | LCS | GCS |
| 5591 | 15 | 86 | 15854 2004 JOURNAL OF COMPUTATIONAL CHEMISTRY 25 (8): 1015-1029 Basdevant N; Borgis D; Ha-Duong T A semi-implicit solvent model for the simulation of peptides and proteins | 0 | 1 |
| 5592 | 2 | 33 | 15855 2004 JOURNAL OF COMPUTATIONAL CHEMISTRY 25 (15): 1873-1881 Zicovich-Wilson CM; Pascale F; Roetti C; Saunders VR; Orlando R; et al. Calculation of the vibration frequencies of alpha-quartz: The effect of Hamiltonian and basis set | 0 | 1 |
| 5593 | 13 | 60 | 16126 2005 JOURNAL OF COMPUTATIONAL CHEMISTRY 26 (4): 399-409 Zhu Q; Fu KX; Li XY; Gong Z; Ma JY Continuous medium theory for nonequilibrium solvation: III. Solvation shift by monopole approximation and multipole expansion in spherical cavity | 0 | 0 |
| 5594 | 0 | 31 | 16127 2005 JOURNAL OF COMPUTATIONAL CHEMISTRY 26 (7): 716-724 Liivat A; Aabloo A; Thomas JO Development of a force field for Li2SiF6 | 0 | 0 |
| 5595 | 1 | 42 | 15856 2004 JOURNAL OF COMPUTATIONAL MATHEMATICS 22 (2): 210-219 Wei-Nan E; Ming PB Analysis of multiscale methods | 0 | 1 |
| 5596 | 8 | 37 | 5665 1971 JOURNAL OF COMPUTATIONAL PHYSICS 7 (3): 489-& SALSBURG ZW; HUCKABY DA FREE ENERGY OF FCC AND HCP LATTICES UNDER FIRST-NEIGHBOR AND SECOND-NEIGHBOR HARMONIC INTERACTIONS | 2 | 14 |
| 5597 | 2 | 13 | 5984 1972 JOURNAL OF COMPUTATIONAL PHYSICS 9 (3): 555-& BASS JN OPTIMIZED CALCULATIONS OF VIBRATIONAL-ROTATIONAL STATES OF DIATOMIC-MOLECULES | 0 | 3 |
| 5598 | 1 | 12 | 6603 1974 JOURNAL OF COMPUTATIONAL PHYSICS 16 (2): 167-185 BOYER LL COMPUTERIZED GROUP THEORY FOR LATTICE DYNAMICAL PROBLEMS | 1 | 8 |
| 5599 | 2 | 7 | 6922 1975 JOURNAL OF COMPUTATIONAL PHYSICS 17 (3): 340-346 BELLOMONTE L CALCULATION OF COULOMB COEFFICIENTS AND MADELUNG CONSTANT IN A FACE-CENTERED CUBIC CRYSTAL WITH ADDITIONAL CHARGES LOCATED ALONG (100) DIRECTION | 0 | 1 |
| 5600 | 4 | 26 | 6923 1975 JOURNAL OF COMPUTATIONAL PHYSICS 19 (1): 1-28 POSTON T; BUDGOR AB GEOMETRICAL APPROACH TO CALCULATING ENERGY AND FREQUENCY SPECTRA OF CRYSTALS | 0 | 3 |
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