Skip Nav Destination
Issues
Electron diffraction studies of hot molecules. III. Stretching and bending anharmonicity in CF3Cl
J. Chem. Phys. 80, 3923–3926 (1984)
https://doi.org/10.1063/1.447273
Effects of an external magnetic field on laser‐induced fluorescence and photodissociation of NaK
J. Chem. Phys. 80, 3936–3947 (1984)
https://doi.org/10.1063/1.447275
Dipole moment and hyperfine properties of the ground state and the C–H excited vibrational state of HCN
J. Chem. Phys. 80, 3989–3991 (1984)
https://doi.org/10.1063/1.447269
Existence of cooperative absorption lines for Yb–(OH,OD) pairs: Absolute oscillator strengths
J. Chem. Phys. 80, 4003–4012 (1984)
https://doi.org/10.1063/1.447272
Energy transfer and catalytic decomposition of ammonia on rhenium at high temperatures
J. Chem. Phys. 80, 4013–4019 (1984)
https://doi.org/10.1063/1.447281
The gas phase structure of trifluoromethylisocyanide CF3NC. An electron diffraction and microwave spectroscopy study
J. Chem. Phys. 80, 4020–4024 (1984)
https://doi.org/10.1063/1.447282
Spectroscopy of the transition state (theory). II. Absorption by H‡3 in H+H2→H‡3→H2+H
J. Chem. Phys. 80, 4025–4034 (1984)
https://doi.org/10.1063/1.447283
Singlet→triplet transitions in C≡N containing molecules by electron impact
J. Chem. Phys. 80, 4035–4043 (1984)
https://doi.org/10.1063/1.447284
Analysis of nuclear quadrupole interaction in three pulse electron spin echo modulation spectra
J. Chem. Phys. 80, 4044–4050 (1984)
https://doi.org/10.1063/1.447285
Resonance Raman, fluorescence, and phosphorescence of palladium phthalocyanine in Shpol’skii matrices
J. Chem. Phys. 80, 4051–4064 (1984)
https://doi.org/10.1063/1.447286
Rate coefficients for the reaction HS+NO+M→HSNO+M (M=He, Ar, and N2) over the temperature range 250–445 K
J. Chem. Phys. 80, 4065–4070 (1984)
https://doi.org/10.1063/1.447287
Vibrational excitation of CH3F by collisions with ‘‘hot’’ hydrogen atoms
J. Chem. Phys. 80, 4071–4077 (1984)
https://doi.org/10.1063/1.447288
Angular distributions of electrons from resonant two‐photon ionization of molecules
J. Chem. Phys. 80, 4078–4096 (1984)
https://doi.org/10.1063/1.447289
Vibrational relaxation of HF(v=3, 4, and 5) by H2, D2, CH4, CD4, and CO2
J. Chem. Phys. 80, 4097–4104 (1984)
https://doi.org/10.1063/1.447290
Geminate recombination of molecular iodine. The role of A and A′ states
J. Chem. Phys. 80, 4105–4111 (1984)
https://doi.org/10.1063/1.447291
Sensitivity analysis of limit cycles with application to the Brusselator
J. Chem. Phys. 80, 4120–4128 (1984)
https://doi.org/10.1063/1.447293
Generalized reorientation cross sections. II. Scattering frame transformations and propensity rules
J. Chem. Phys. 80, 4129–4132 (1984)
https://doi.org/10.1063/1.447294
Lack of M‐preserving propensities in rotationally inelastic collisions of NO(X 2Π1/2)
J. Chem. Phys. 80, 4133–4136 (1984)
https://doi.org/10.1063/1.447213
Infrared photodissociation of ammonia dimers
J. Chem. Phys. 80, 4137–4141 (1984)
https://doi.org/10.1063/1.447241
H+D2 reaction dynamics. Determination of the product state distributions at a collision energy of 1.3 eV
J. Chem. Phys. 80, 4142–4156 (1984)
https://doi.org/10.1063/1.447242
Electric field assisted dissociation of charge transfer states as a mechanism of photocarrier production
J. Chem. Phys. 80, 4157–4161 (1984)
https://doi.org/10.1063/1.447243
Nascent internal energy distributions of MgH(MgD) produced in the reaction of Mg(3s3p1P1) with H2(D2)
J. Chem. Phys. 80, 4168–4176 (1984)
https://doi.org/10.1063/1.447245
Excitation decay due to incoherent energy transfer: A comparative study by means of an exact density expansion
J. Chem. Phys. 80, 4200–4203 (1984)
https://doi.org/10.1063/1.447250
Collision complex formation in the reactions of formyl radicals with nitric oxide and oxygen
J. Chem. Phys. 80, 4211–4221 (1984)
https://doi.org/10.1063/1.447252
Study of collisional relaxation in NH3 by steady‐state, infrared–infrared double resonance
J. Chem. Phys. 80, 4222–4229 (1984)
https://doi.org/10.1063/1.447253
Rotational energy surfaces and high‐J eigenvalue structure of polyatomic molecules
J. Chem. Phys. 80, 4241–4261 (1984)
https://doi.org/10.1063/1.447255
Collision dynamics of three interacting atoms: Model calculations of H+H2 resonances
J. Chem. Phys. 80, 4262–4276 (1984)
https://doi.org/10.1063/1.447256
A numerical variational method for calculating vibration intervals of bent triatomic molecules
J. Chem. Phys. 80, 4280–4285 (1984)
https://doi.org/10.1063/1.447258
Chemical application of the saddle point variational method. I. Oxygen 1s vacancy ions of formaldehyde
J. Chem. Phys. 80, 4320–4324 (1984)
https://doi.org/10.1063/1.447262
Clarification of the electronic asymmetry in Π‐state Λ doublets with some implications for molecular collisions
J. Chem. Phys. 80, 4325–4332 (1984)
https://doi.org/10.1063/1.447263
Vinylidene: Potential energy surface and unimolecular reaction dynamics
J. Chem. Phys. 80, 4347–4354 (1984)
https://doi.org/10.1063/1.447266
Fundamentals and mechanisms of quantum localization in multidimensional correlated systems
J. Chem. Phys. 80, 4363–4370 (1984)
https://doi.org/10.1063/1.447212
A study of Be2 with many‐body perturbation theory and a coupled‐cluster method including triple excitations
J. Chem. Phys. 80, 4371–4377 (1984)
https://doi.org/10.1063/1.447214
A new analysis of charge transfer and polarization for ligand–metal bonding: Model studies of Al4CO and Al4NH3
J. Chem. Phys. 80, 4378–4386 (1984)
https://doi.org/10.1063/1.447215
Conformatonal analysis of n‐cyclophanes by molecular mechanics. II. 5‐, 6‐, and 7‐metacyclophane
J. Chem. Phys. 80, 4387–4395 (1984)
https://doi.org/10.1063/1.447216
Electron–electron and electron‐hole interactions in small semiconductor crystallites: The size dependence of the lowest excited electronic state
In Special Collection:
JCP 90 for 90 Anniversary Collection
J. Chem. Phys. 80, 4403–4409 (1984)
https://doi.org/10.1063/1.447218
On the rotational relaxation of a rodlike macromolecule in a concentrated solution
J. Chem. Phys. 80, 4410–4412 (1984)
https://doi.org/10.1063/1.447219
Theoretical study of miscibility and glass‐forming trends in mixtures of polystyrene spheres
J. Chem. Phys. 80, 4429–4433 (1984)
https://doi.org/10.1063/1.447222
The structure of liquid water at an extended hydrophobic surface
J. Chem. Phys. 80, 4448–4455 (1984)
https://doi.org/10.1063/1.447226
Calculations of the lattice mode spectra of proton ordered ices: A test of the accuracy of water–water potentials
J. Chem. Phys. 80, 4456–4463 (1984)
https://doi.org/10.1063/1.447227
Size effects in the excited electronic states of small colloidal CdS crystallites
J. Chem. Phys. 80, 4464–4469 (1984)
https://doi.org/10.1063/1.447228
Calculation of orientational pair correlation factors with the interaction site formalism
J. Chem. Phys. 80, 4484–4487 (1984)
https://doi.org/10.1063/1.447231
An optimized harmonic reference system for the evaluation of discretized path integrals
J. Chem. Phys. 80, 4488–4495 (1984)
https://doi.org/10.1063/1.447232
A carbon Auger line shape study of nitroaromatic explosives
J. Chem. Phys. 80, 4513–4520 (1984)
https://doi.org/10.1063/1.447236
Dielectric enhancement and electrophoresis due to an electrochemical double layer: A uniform approximation
J. Chem. Phys. 80, 4541–4552 (1984)
https://doi.org/10.1063/1.447239
The Amsterdam Modeling Suite
Evert Jan Baerends, Nestor F. Aguirre, et al.
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.