| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A new century of theoretical chemistry
|
Cramer, C.J.
|
|
2000
|
103 |
3-4 |
p. 167
|
article
|
| 2 |
A Perspective on “Volume and heat of hydration of ions”
|
Pettitt, B. M.
|
|
2000
|
103 |
3-4 |
p. 171-172
|
article
|
| 3 |
Cavity and reaction field: “robust” concepts. Perspective on “Electric moments of molecules in liquids”
|
Tomasi, Jacopo
|
|
2000
|
103 |
3-4 |
p. 196-199
|
article
|
| 4 |
Chemical building blocks in quantum chemical calculations. Perspective on “The density matrix in many-electron quantum mechanics I. Generalized product functions. Factorization and physical interpretation of the density matrices”
|
Ángyán, János G.
|
|
2000
|
103 |
3-4 |
p. 238-241
|
article
|
| 5 |
Finding the way through intermolecular forces. Perspective on “Permanent and induced molecular moments and long-range intermolecular forces”
|
Dykstra, Clifford E.
|
|
2000
|
103 |
3-4 |
p. 278-280
|
article
|
| 6 |
From Xα-scattered wave to end-of-the-century applications of density functional theory in chemistry. Perspective on “Chemical bonding of a molecular transition-metal ion in a crystalline environment”
|
Salahub, Dennis R.
|
|
2000
|
103 |
3-4 |
p. 311-312
|
article
|
| 7 |
Multireference many-body methods. Perspective on “Linked-cluster expansions for the nuclear many-body problem”
|
Kaldor, Uzi
|
|
2000
|
103 |
3-4 |
p. 276-277
|
article
|
| 8 |
Perspective on “Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory”
|
Schlegel, H. Bernhard
|
|
2000
|
103 |
3-4 |
p. 294-296
|
article
|
| 9 |
Perspective on “A molecular orbital theory of reactivity in aromatic hydrocarbons”
|
Kato, Shigeki
|
|
2000
|
103 |
3-4 |
p. 219-220
|
article
|
| 10 |
Perspective on “An extended Hückel theory. I. Hydrocarbons”
|
Whangbo, Myung-Hwan
|
|
2000
|
103 |
3-4 |
p. 252-256
|
article
|
| 11 |
Perspective on “Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening σ bonds”
|
Jordan, K. D.
|
|
2000
|
103 |
3-4 |
p. 286-288
|
article
|
| 12 |
Perspective on “Conduction in polar crystals. I. Electrolyte conduction in solid salts”
|
Catlow, C. R. A.
|
|
2000
|
103 |
3-4 |
p. 205-208
|
article
|
| 13 |
Perspective on “Correlations in the motion of atoms in liquid argon”
|
Rossky, Peter J.
|
|
2000
|
103 |
3-4 |
p. 263-264
|
article
|
| 14 |
Perspective on “Density functional approach to the frontier-electron theory of chemical reactivity”
|
Ayers, Paul W.
|
|
2000
|
103 |
3-4 |
p. 353-360
|
article
|
| 15 |
Perspective on “Density-functional theory for fractional particle number: derivative discontinuities of the energy”
|
Zhang, Yingkai
|
|
2000
|
103 |
3-4 |
p. 346-348
|
article
|
| 16 |
Perspective on “Density functional thermochemistry. III. The role of exact exchange”
|
Raghavachari, Krishnan
|
|
2000
|
103 |
3-4 |
p. 361-363
|
article
|
| 17 |
Perspective on “Dynamics of folded proteins”
|
Case, David A.
|
|
2000
|
103 |
3-4 |
p. 332-334
|
article
|
| 18 |
Perspective on “Electrostatic interactions of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects”
|
Luque, F. Javier
|
|
2000
|
103 |
3-4 |
p. 343-345
|
article
|
| 19 |
Perspective on “Equation of state calculations by fast computing machines”
|
Jorgensen, William L.
|
|
2000
|
103 |
3-4 |
p. 225-227
|
article
|
| 20 |
Perspective on “Exchange reactions with activation energy. I. Simple barrier potential for (H, H2)”
|
Schatz, George C.
|
|
2000
|
103 |
3-4 |
p. 270-272
|
article
|
| 21 |
Perspective on “Group theoretical approach to the configuration interaction and perturbation theory calculations for atomic and molecular systems”
|
Robb, Michael A.
|
|
2000
|
103 |
3-4 |
p. 317-321
|
article
|
| 22 |
Perspective on “Inhomogeneous electron gas”
|
Ernzerhof, Matthias
|
|
2000
|
103 |
3-4 |
p. 259-262
|
article
|
| 23 |
Perspective on “Intermolecular orbital theory of the interactions between conjugated systems.” I General theory; II Thermal and photochemical cycloadditions
|
Eisenstein, Odile
|
|
2000
|
103 |
3-4 |
p. 289-291
|
article
|
| 24 |
Perspective on “MO approach to electronic spectra of radicals”Čársky P, Zahradník R (1973) Top Curr Chem 43: 1
|
Čársky, Petr
|
|
2000
|
103 |
3-4 |
p. 315-316
|
article
|
| 25 |
Perspective on “Molecular collisions. VIII”
|
Kouri, Donald J.
|
|
2000
|
103 |
3-4 |
p. 281-285
|
article
|
| 26 |
Perspective on “Molecular dynamics study of liquid water”
|
Kollman, Peter
|
|
2000
|
103 |
3-4 |
p. 306-307
|
article
|
| 27 |
Perspective on “Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium”
|
Helgaker, Trygve
|
|
2000
|
103 |
3-4 |
p. 180-181
|
article
|
| 28 |
Perspective on “New developments in molecular orbital theory”
|
Zerner, Michael C.
|
|
2000
|
103 |
3-4 |
p. 217-218
|
article
|
| 29 |
Perspective on Norman Ramsey's theories of NMR chemical shifts and nuclear spin–spin coupling
|
Pyykkö, Pekka
|
|
2000
|
103 |
3-4 |
p. 214-216
|
article
|
| 30 |
Perspective on “On the correlation problem in atomic and molecular systems. Calculation of wavefunction components in Ursell-type expansion using quantum-field theoretical methods”
|
Bartlett, Rodney J.
|
|
2000
|
103 |
3-4 |
p. 273-275
|
article
|
| 31 |
Perspective on “On the theory of oxidation–reduction reactions involving electron transfer. I”
|
Lluch, José M.
|
|
2000
|
103 |
3-4 |
p. 231-233
|
article
|
| 32 |
Perspective on “Principles for a direct SCF approach to LCAO-MO ab initio calculations”
|
Truhlar, Donald G.
|
|
2000
|
103 |
3-4 |
p. 349-352
|
article
|
| 33 |
Perspective on “Quantentheoretische Beiträge zum Benzolproblem. I. Die Elektronenkonfiguration des Benzols und verwandter Beziehungen”
|
Frenking, Gernot
|
|
2000
|
103 |
3-4 |
p. 187-189
|
article
|
| 34 |
Perspective on “Quantum mechanical reactive scattering for three-dimensional atom plus diatom systems. II. Accurate cross sections for H + H2”
|
Clary, David C.
|
|
2000
|
103 |
3-4 |
p. 326-327
|
article
|
| 35 |
Perspective on “Quantum mechanics of many-electron systems”
|
Kutzelnigg, Werner
|
|
2000
|
103 |
3-4 |
p. 182-186
|
article
|
| 36 |
Perspective on “Quantum theory of many-particle systems I, II, and III”
|
Roos, Björn O.
|
|
2000
|
103 |
3-4 |
p. 228-230
|
article
|
| 37 |
Perspective on “Self-consistent equations including exchange and correlation effects”
|
Baerends, E. J.
|
|
2000
|
103 |
3-4 |
p. 265-269
|
article
|
| 38 |
Perspective on “Self-consistent molecular Hartree–Flock–Slater calculations”
|
Jansen, A. P. J.
|
|
2000
|
103 |
3-4 |
p. 313-314
|
article
|
| 39 |
Perspective on “Semiclassical theory of atom–diatom collisions: path integrals and the classical S matrix”
|
Schinke, Reinhard
|
|
2000
|
103 |
3-4 |
p. 297-299
|
article
|
| 40 |
Perspective on “Some recent developments in the theory of molecular energy levels”
|
Yarkony, David R.
|
|
2000
|
103 |
3-4 |
p. 242-247
|
article
|
| 41 |
Perspective on “Statistical mechanical theory of irreversible processes. I. General theory and simple applications to magnetic and conduction problems.”
|
Frenkel, Daan
|
|
2000
|
103 |
3-4 |
p. 234-235
|
article
|
| 42 |
Perspective on “Statistical mechanics of isomerization dynamics in liquids and the transition state approximation”
|
Berne, B. J.
|
|
2000
|
103 |
3-4 |
p. 335-336
|
article
|
| 43 |
Perspective on “Stereochemistry of polypeptide chain conformations”
|
Lavery, Richard
|
|
2000
|
103 |
3-4 |
p. 257-258
|
article
|
| 44 |
Perspective on “The activated complex in chemical reactions”
|
Petersson, George A.
|
|
2000
|
103 |
3-4 |
p. 190-195
|
article
|
| 45 |
Perspective on “The effect of shape on the interaction of colloidal particles”
|
Frenkel, Daan
|
|
2000
|
103 |
3-4 |
p. 212-213
|
article
|
| 46 |
Perspective on “The energetics of enzymatic reactions”
|
Warshel, Arieh
|
|
2000
|
103 |
3-4 |
p. 337-339
|
article
|
| 47 |
Perspective on “Theoretical interpretation of 1-2 asymmetric induction. The importance of antiperiplanarity”
|
Houk, K. N.
|
|
2000
|
103 |
3-4 |
p. 330-331
|
article
|
| 48 |
Perspective on “Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme”
|
Gao, Jiali
|
|
2000
|
103 |
3-4 |
p. 328-329
|
article
|
| 49 |
Perspective on “Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions”
|
Werner, Hans-Joachim
|
|
2000
|
103 |
3-4 |
p. 322-325
|
article
|
| 50 |
Perspective on “The physical nature of the chemical bond”
|
Gordon, Mark S.
|
|
2000
|
103 |
3-4 |
p. 248-251
|
article
|
| 51 |
Perspective on “The spectra and electronic structure of the tetrahedral ions MnO−4, CrO−4, and ClO−4”
|
Hall, Michael B.
|
|
2000
|
103 |
3-4 |
p. 221-224
|
article
|
| 52 |
Perspective on “The transition state method”
|
Garrett, Bruce C.
|
|
2000
|
103 |
3-4 |
p. 200-204
|
article
|
| 53 |
Perspective on “Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik”
|
Frenking, Gernot
|
|
2000
|
103 |
3-4 |
p. 177-179
|
article
|
| 54 |
Perspective on “Zur Quantentheorie der Molekeln”
|
Tully, John C.
|
|
2000
|
103 |
3-4 |
p. 173-176
|
article
|
| 55 |
Perspective on “Zur Quantentheorie der Spektrallinien”
|
Hess, Bernd Artur
|
|
2000
|
103 |
3-4 |
p. 168-170
|
article
|
| 56 |
Quantum wavepacket approach to chemical reaction dynamics. Perspective on “Dynamics of the collinear H + H2 reaction. I. Probability density and flux”
|
Zhang, John Z.H.
|
|
2000
|
103 |
3-4 |
p. 300-305
|
article
|
| 57 |
Reaction rates in condensed phases. Perspective on “Brownian motion in a field of force and the diffusion model of chemical reactions”
|
Tucker, Susan C.
|
|
2000
|
103 |
3-4 |
p. 209-211
|
article
|
| 58 |
Sugar anomerism – a short and sweet digression Perspective on “The application of ab initio molecular orbital theory to the anomeric effect”
|
Cramer, Christopher J.
|
|
2000
|
103 |
3-4 |
p. 308-310
|
article
|
| 59 |
The origin of the pseudopotential density functional method. Perspective on “Microscopic theory of phase transformation and lattice dynamics of Si”
|
Chelikowsky, James R.
|
|
2000
|
103 |
3-4 |
p. 340-342
|
article
|
| 60 |
Two landmarks in polymer physics: the Edwards model and de Gennes' observation
|
Thirumalai, D.
|
|
2000
|
103 |
3-4 |
p. 292-293
|
article
|
| 61 |
Using classical mechanics in a quantum framework. Perspective on “Semiclassical description of scattering”
|
Miller, William H.
|
|
2000
|
103 |
3-4 |
p. 236-237
|
article
|
Journal description