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Thu Oct 13 15:41:38 2005
Papers and books by Max Born (1909-1955)
and the papers citing "M Born" (1909-2005)
expanded with pseudo records

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 

#LCRNCRNode / Date / Journal / AuthorLCSGCS
540155014495 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
1623
540211714496 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
11
540346214497 2000 JOURNAL OF CHEMICAL PHYSICS 112 (9): 3980-3989
Donoso A; Martens CC
Semiclassical multistate Liouville dynamics in the adiabatic representation
228
540474814498 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
913
5405611614499 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
03
540633714500 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
013
540793614501 2000 JOURNAL OF CHEMICAL PHYSICS 112 (13): 5558-5565
Chipman DM
Reaction field treatment of charge penetration
339
540864814502 2000 JOURNAL OF CHEMICAL PHYSICS 112 (16): 7138-7146
Egorov SA
Local density augmentation in attractive supercritical solutions: Inhomogeneous fluid approach
326
540956614503 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
541023114504 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
#LCRNCRNode / Date / Journal / AuthorLCSGCS
541138914505 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
541215414506 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
541326314507 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
541416114820 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
5415103814821 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
541631814822 2001 JOURNAL OF CHEMICAL PHYSICS 114 (4): 1443-1446
Koehl RM; Nelson KA
Coherent optical control over collective vibrations traveling at lightlike speeds
412
5417115114823 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
5418155214824 2001 JOURNAL OF CHEMICAL PHYSICS 114 (7): 2924-2937
Im W; Berneche S; Roux B
Generalized solvent boundary potential for computer simulations
520
541931514825 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
5420105514826 2001 JOURNAL OF CHEMICAL PHYSICS 114 (10): 4377-4385
Marchi M; Borgis D; Levy N; Ballone P
A dielectric continuum molecular dynamics method
622
#LCRNCRNode / Date / Journal / AuthorLCSGCS
542163114827 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
542264814828 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
542344214829 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
5424118914830 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
542542714831 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
542675914832 2001 JOURNAL OF CHEMICAL PHYSICS 115 (6): 2377-2388
Koppel H; Gronki J; Mahapatra S
Construction scheme for regularized diabatic states
413
542776514833 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
5428810114834 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
542954114835 2001 JOURNAL OF CHEMICAL PHYSICS 115 (18): 8312-8326
Batcho PF; Schlick T
New splitting formulations for lattice summations
05
543023214836 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
#LCRNCRNode / Date / Journal / AuthorLCSGCS
543194614837 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
5432207814838 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
5433155114839 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
543423215177 2002 JOURNAL OF CHEMICAL PHYSICS 116 (1): 275-280
Kang JK; Musgrave CB
The mechanism of HF/H2O chemical etching of SiO2
04
543515115178 2002 JOURNAL OF CHEMICAL PHYSICS 116 (2): 547-560
ter Steege DHA; Wirtz AC; Buma WJ
Vibronic coupling in excited states of acetone
04
5436116715179 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
543762715180 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
543832615181 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
543931815182 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
544095215183 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
#LCRNCRNode / Date / Journal / AuthorLCSGCS
544112115184 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
544222415185 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
544366115186 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
544476115187 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
544513815188 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
544663215189 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
5447228515190 2002 JOURNAL OF CHEMICAL PHYSICS 116 (23): 10129-10138
Chipman DM
Energy correction to simulation of volume polarization in reaction field theory
016
544873315191 2002 JOURNAL OF CHEMICAL PHYSICS 116 (24): 10606-10614
Lee MS; Salsbury FR; Brooks CL
Novel generalized Born methods
752
544945815192 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
5450158715193 2002 JOURNAL OF CHEMICAL PHYSICS 117 (3): 965-979
Pendas AM
Stress, virial, and pressure in the theory of atoms in molecules
02
#LCRNCRNode / Date / Journal / AuthorLCSGCS
5451165915194 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
5452128915195 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
545366215196 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
54541011615197 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
545542815198 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
545633015199 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
545743115200 2002 JOURNAL OF CHEMICAL PHYSICS 117 (15): 7198-7206
Matsika S; Yarkony DR
Photodissociation of the vinoxy radical through conical, and avoided, intersections
07
5458133015201 2002 JOURNAL OF CHEMICAL PHYSICS 117 (16): 7405-7408
Baer R
Born-Oppenheimer invariants along nuclear configuration paths
56
545934415202 2002 JOURNAL OF CHEMICAL PHYSICS 117 (16): 7649-7658
Buxton GA; Balazs AC
Lattice spring model of filled polymers and nanocomposites
211
546062915203 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
#LCRNCRNode / Date / Journal / AuthorLCSGCS
546114015531 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
546245615532 2003 JOURNAL OF CHEMICAL PHYSICS 118 (2): 807-815
Della Valle RG; Venuti E; Brillante A; Girlando A
Inherent structures of crystalline pentacene
112
546371915533 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
546443515534 2003 JOURNAL OF CHEMICAL PHYSICS 118 (3): 1333-1340
Dorman VL; Jordan PC
Ion-water interaction potentials in the semimicroscopic model
15
546523815535 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
546643115536 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
5467136615537 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
5468119015538 2003 JOURNAL OF CHEMICAL PHYSICS 118 (5): 2308-2324
Pyper NC
The cohesive energetics of solid cesium chloride
02
54692915539 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
547023315540 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
#LCRNCRNode / Date / Journal / AuthorLCSGCS
547155715541 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
547225715542 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
547387815543 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
547422415544 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
5475136115545 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
547675715546 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
547702815547 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
547865315548 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
547924215549 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
548033215550 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
#LCRNCRNode / Date / Journal / AuthorLCSGCS
548145115551 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
548233015552 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
548362015553 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
548424215554 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
548543615555 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
548628415556 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
5487112115557 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
548858615558 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
548933515559 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
5490199615560 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
#LCRNCRNode / Date / Journal / AuthorLCSGCS
549154215561 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
549227415562 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
5493167815563 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
5494185415855 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
5495144715856 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
549627915857 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
549766815858 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
549836815859 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
5499812215860 2004 JOURNAL OF CHEMICAL PHYSICS 120 (16): 7532-7556
Matyushov DV
Solvent reorganization energy of electron-transfer reactions in polar solvents
04
550052815861 2004 JOURNAL OF CHEMICAL PHYSICS 120 (18): 8567-8574
Dufey F
Double tunneling in dipole bound anions: A model study
00

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