RATE CONSTANTS FOR ROTATIONAL-EXCITATION OF ORTHO-NH3 AND PARA-NH3 COLLIDING WITH HE-4 ON AN AB-INITIO POTENTIAL-ENERGY SURFACE

被引：49

作者：

BILLING, GD ^{[1
]}

POULSEN, LL ^{[1
]}

DIERCKSEN, GHF ^{[1
]}

机构：

[1] MAX PLANCK INST PHYS & ASTROPHYS,INST ASTROPHYS,D-8000 MUNICH 40,FED REP GER

来源：

CHEMICAL PHYSICS | 1985年 / 98卷 / 03期

关键词：

D O I：

10.1016/0301-0104(85)87096-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：397 / 408

页数：12

共 50 条

[41] AB-INITIO DETERMINATION OF THE CRITICAL-POINTS OF THE POTENTIAL-ENERGY SURFACE OF THE N-(3)-H AND N-(1,N-3)-H TAUTOMERS OF HISTAMINE MONOCATION
HERNANDEZLAGUNA, A
CRUZRODRIGUEZ, Z
SMEYERS, YG
ARTECA, GA
ABBOUDD, JLM
TAPIA, O
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 335 : 77 - 87
[42] ROLE OF THE HNO3[--]NOH ISOMERIZATION IN REACTIONS (I) NH((3)SIGMA(-))+O(P-3) AND (II) N(S-4)+OH((2)PI) - AB-INITIO CALCULATIONS AND QUANTUM-STATISTICAL RICE-RAMSPERGER-KASSEL ANALYSIS OF THE POTENTIAL-ENERGY SURFACES
SENGUPTA, D
CHANDRA, AK
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (05): : 3906 - 3915
[43] Ab initio MO calculations for the reactions of NH2 with H2, H2O, NH3 and CH4:: prediction of absolute rate constants and kinetic isotope effects
Mebel, AM
Moskaleva, LV
Lin, MC
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 461 : 223 - 238
[44] Theoretical Calculations of the Thermal Rate Coefficients for the Interstellar NH3++H2-*NH4++ H Reaction on a New ?-Machine Learning Potential Energy Surface
Hashimoto, Yu
Takayanagi, Toshiyuki
Murakami, Tatsuhiro
ACS EARTH AND SPACE CHEMISTRY, 2023, 7 (03): : 623 - 631
[45] A new ab initio potential-energy surface for NH2, (X2A"). and quantum studies of NH2 vibrational spectrum and rate constant for the N(2D)+ H2→NH+H reaction (vol 128, art no 224316, 2008)
Zhou, Shulan
Xie, Daiqian
Lin, Shi Ying
Guo, Hua
JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (12):
[46] Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of 14NH3+
Yurchenko, Sergei N.
Thiel, Walter
Carvajal, Miguel
Jensen, Per
CHEMICAL PHYSICS, 2008, 346 (1-3) : 146 - 159
[47] Benchmark ab initio stationary-point characterization of the complex potential energy surface of the multi-channel Cl + CH3NH2 reaction
Szucs, Timea
Czako, Gabor
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 23 (17) : 10347 - 10356
[48] New ab initio potential energy surface and quantum dynamics of the reaction H(2S) + NH(X3Σ-) → N(4S) + H2
Zhai, Hong-Sheng
Han, Ke-Li
JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (10):
[49] A GAUSSIAN-1 TYPE AB-INITIO MO STUDY OF THE [CH2NO](+) POTENTIAL-ENERGY SURFACE - THEORETICAL SUPPORT FOR THE EXISTENCE OF 3 EXPERIMENTALLY DISTINGUISHABLE ISOMERS IN THE GAS-PHASE
HRUSAK, J
HOLTHAUSEN, MC
GOLDBERG, N
IRAQI, M
KOCH, W
SCHWARZ, H
ISRAEL JOURNAL OF CHEMISTRY, 1993, 33 (03) : 277 - 286
[50] Repulsive double many-body expansion potential energy surface for the reactions N(4S)+H2⇆NH(X3Σ-)+H from accurate ab initio calculations
Poveda, LA
Varandas, AJC
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2005, 7 (15) : 2867 - 2873

← 1 2 3 4 5 →