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Tue Jul 12 09:37:24 2005
Papers by Max Born (1909-1955)
and the papers citing "M Born" (1909-2005)

Nodes: 16200, Authors: 18277, Journals: 1499, Outer References: 363576, Words: 15025
Collection span: 1909 - 2005
View: Overview. Sorted by journal name.
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#LCRNCRNode / Date / Journal / AuthorLCSGCS
540193614479 2000 JOURNAL OF CHEMICAL PHYSICS 112 (13): 5558-5565
Chipman DM
Reaction field treatment of charge penetration
339
540264814480 2000 JOURNAL OF CHEMICAL PHYSICS 112 (16): 7138-7146
Egorov SA
Local density augmentation in attractive supercritical solutions: Inhomogeneous fluid approach
326
540346614481 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
14
540413114482 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
313
540528914483 2000 JOURNAL OF CHEMICAL PHYSICS 113 (4): 1329-1347
Luckhaus D
6D vibrational quantum dynamics: Generalized coordinate discrete variable representation and (a)diabatic contraction
367
540615414484 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
018
540726314485 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
316
540816114798 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
01
5409103814799 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
36
541021814800 2001 JOURNAL OF CHEMICAL PHYSICS 114 (4): 1443-1446
Koehl RM; Nelson KA
Coherent optical control over collective vibrations traveling at lightlike speeds
412
#LCRNCRNode / Date / Journal / AuthorLCSGCS
5411105114801 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
431
5412155214802 2001 JOURNAL OF CHEMICAL PHYSICS 114 (7): 2924-2937
Im W; Berneche S; Roux B
Generalized solvent boundary potential for computer simulations
520
541321514803 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
03
5414105514804 2001 JOURNAL OF CHEMICAL PHYSICS 114 (10): 4377-4385
Marchi M; Borgis D; Levy N; Ballone P
A dielectric continuum molecular dynamics method
622
541563114805 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
44
541654814806 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
05
541734214807 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
14
5418118914808 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
116
541942714809 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
27
542065914810 2001 JOURNAL OF CHEMICAL PHYSICS 115 (6): 2377-2388
Koppel H; Gronki J; Mahapatra S
Construction scheme for regularized diabatic states
413
#LCRNCRNode / Date / Journal / AuthorLCSGCS
542166514811 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
1220
5422610114812 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
1723
542354114813 2001 JOURNAL OF CHEMICAL PHYSICS 115 (18): 8312-8326
Batcho PF; Schlick T
New splitting formulations for lattice summations
05
542413214814 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
11
542594614815 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
12
5426207814816 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
45
5427155114817 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
35
542813215155 2002 JOURNAL OF CHEMICAL PHYSICS 116 (1): 275-280
Kang JK; Musgrave CB
The mechanism of HF/H2O chemical etching of SiO2
04
542915115156 2002 JOURNAL OF CHEMICAL PHYSICS 116 (2): 547-560
ter Steege DHA; Wirtz AC; Buma WJ
Vibronic coupling in excited states of acetone
04
5430106715157 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
1627
#LCRNCRNode / Date / Journal / AuthorLCSGCS
543162715158 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?
07
543222615159 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
16
543321815160 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
512
543495215161 2002 JOURNAL OF CHEMICAL PHYSICS 116 (7): 2936-2944
Sandberg L; Edholm O
Nonlinear response effects in continuum models of the hydration of ions
26
543512115162 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
17
543622415163 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
33
543766115164 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)
06
543876115165 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
03
543913815166 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
01
544063215167 2002 JOURNAL OF CHEMICAL PHYSICS 116 (19): 8483-8491
Fridrikh SV; Lipson JEG
Square-well fluids: The statistical and thermodynamic properties of short chains
33
#LCRNCRNode / Date / Journal / AuthorLCSGCS
5441228515168 2002 JOURNAL OF CHEMICAL PHYSICS 116 (23): 10129-10138
Chipman DM
Energy correction to simulation of volume polarization in reaction field theory
016
544273315169 2002 JOURNAL OF CHEMICAL PHYSICS 116 (24): 10606-10614
Lee MS; Salsbury FR; Brooks CL
Novel generalized Born methods
752
544345815170 2002 JOURNAL OF CHEMICAL PHYSICS 117 (2): 756-765
Blum L
Scaling for mixtures of hard ions and dipoles in the mean spherical approximation
07
5444158715171 2002 JOURNAL OF CHEMICAL PHYSICS 117 (3): 965-979
Pendas AM
Stress, virial, and pressure in the theory of atoms in molecules
02
5445155915172 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
913
5446118915173 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
011
544756215174 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
010
54481011615175 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
19
544932815176 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
02
545033015177 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
26
#LCRNCRNode / Date / Journal / AuthorLCSGCS
545133115178 2002 JOURNAL OF CHEMICAL PHYSICS 117 (15): 7198-7206
Matsika S; Yarkony DR
Photodissociation of the vinoxy radical through conical, and avoided, intersections
07
5452123015179 2002 JOURNAL OF CHEMICAL PHYSICS 117 (16): 7405-7408
Baer R
Born-Oppenheimer invariants along nuclear configuration paths
56
545324415180 2002 JOURNAL OF CHEMICAL PHYSICS 117 (16): 7649-7658
Buxton GA; Balazs AC
Lattice spring model of filled polymers and nanocomposites
211
545462915181 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
00
545514015509 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
05
545635615510 2003 JOURNAL OF CHEMICAL PHYSICS 118 (2): 807-815
Della Valle RG; Venuti E; Brillante A; Girlando A
Inherent structures of crystalline pentacene
112
545771915511 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
16
545843515512 2003 JOURNAL OF CHEMICAL PHYSICS 118 (3): 1333-1340
Dorman VL; Jordan PC
Ion-water interaction potentials in the semimicroscopic model
15
545923815513 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
07
546043115514 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
15
#LCRNCRNode / Date / Journal / AuthorLCSGCS
5461136615515 2003 JOURNAL OF CHEMICAL PHYSICS 118 (5): 2039-2056
Egwolf B; Tavan P
Continuum description of solvent dielectrics in molecular-dynamics simulations of proteins
01
5462109015516 2003 JOURNAL OF CHEMICAL PHYSICS 118 (5): 2308-2324
Pyper NC
The cohesive energetics of solid cesium chloride
02
54631915517 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)]
03
546423315518 2003 JOURNAL OF CHEMICAL PHYSICS 118 (8): 3480-3490
Cho MH
Correlation between electronic and molecular structure distortions and vibrational properties. I. Adiabatic approximations
013
546555715519 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
03
546625715520 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))
03
546787815521 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
02
546822415522 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
05
5469136115523 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
03
547075715524 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
07
#LCRNCRNode / Date / Journal / AuthorLCSGCS
547102815525 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
12
547255315526 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
03
547324215527 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
00
547423215528 2003 JOURNAL OF CHEMICAL PHYSICS 119 (4): 2147-2154
Pastorino C; Gamba Z
Free-energy calculations of elemental sulphur crystals via molecular dynamics simulations
00
547545115529 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
06
547633015530 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
01
547762015531 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
22
547824215532 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
00
547943615533 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
46
548028415534 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
01
#LCRNCRNode / Date / Journal / AuthorLCSGCS
5481102115535 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
45
548258615536 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
02
548333515537 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
07
5484199615538 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
06
548544215539 2003 JOURNAL OF CHEMICAL PHYSICS 119 (18): 9673-9685
Tangney P; Scandolo S
A many-body interatomic potential for ionic systems: Application to MgO
02
548627415540 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
05
5487167815541 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
01
5488185415833 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
47
5489144715834 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
03
549027915835 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
02
#LCRNCRNode / Date / Journal / AuthorLCSGCS
549156815836 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
03
549236815837 2004 JOURNAL OF CHEMICAL PHYSICS 120 (10): 4593-4602
Hellman A; Razaznejad B; Lundqvist BI
Potential-energy surfaces for excited states in extended systems
00
5493812215838 2004 JOURNAL OF CHEMICAL PHYSICS 120 (16): 7532-7556
Matyushov DV
Solvent reorganization energy of electron-transfer reactions in polar solvents
04
549442815839 2004 JOURNAL OF CHEMICAL PHYSICS 120 (18): 8567-8574
Dufey F
Double tunneling in dipole bound anions: A model study
00
549593815840 2004 JOURNAL OF CHEMICAL PHYSICS 121 (7): 3143-3151
Onuki A; Kitamura H
Solvation effects in near-critical binary mixtures
00
5496198415841 2004 JOURNAL OF CHEMICAL PHYSICS 121 (9): 4000-4013
Vertesi T; Vibok A; Halasz GJ; Baer M
A field theoretical approach to calculate electronic Born-Oppenheimer coupling terms
01
549772315842 2004 JOURNAL OF CHEMICAL PHYSICS 121 (11): 5339-5347
Porter JA; Lipson JEG
Comparison of lattice and continuum treatments of n-alkanes with experimental data
11
549833115843 2004 JOURNAL OF CHEMICAL PHYSICS 121 (11): 5514-5530
Dzubiella J; Hansen JP
Competition of hydrophobic and Coulombic interactions between nanosized solutes
01
549947615844 2004 JOURNAL OF CHEMICAL PHYSICS 121 (12): 5740-5753
Ghosal S; Mahapatra S
A time-dependent wave packet study of the vibronic and spin-orbit interactions in the dynamics of Cl(P-2)+H-2 -> HCl(X)over-tilde(1)Sigma(+)(g))+H(S-2) reaction
12
550017315845 2004 JOURNAL OF CHEMICAL PHYSICS 121 (12): 6034-6041
Solans-Monfort X; Branchadell V; Sodupe M; Sierka M; Sauer J
Electron hole formation in acidic zeolite catalysts
01

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