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Results: 1-18 |
Results: 18
DFT modeling of chemical vapor deposition of GaN from organogallium precursors. 1. Thermodynamics of elimination reactions
Authors: Timoshkin, AY Bettinger, HF Schaefer, HF
Citation: Ay. Timoshkin et al., DFT modeling of chemical vapor deposition of GaN from organogallium precursors. 1. Thermodynamics of elimination reactions, J PHYS CH A, 105(13), 2001, pp. 3240-3248
DFT modeling of chemical vapor deposition of GaN from organogallium precursors. 2. Structures of the oligomers and thermodynamics of the association processes
Authors: Timoshkin, AY Bettinger, HF Schaefer, HF
Citation: Ay. Timoshkin et al., DFT modeling of chemical vapor deposition of GaN from organogallium precursors. 2. Structures of the oligomers and thermodynamics of the association processes, J PHYS CH A, 105(13), 2001, pp. 3249-3258
Fluorinated single-wall carbon nanotubes - art. no. 045413
Authors: Kudin, KN Bettinger, HF Scuseria, GE
Citation: Kn. Kudin et al., Fluorinated single-wall carbon nanotubes - art. no. 045413, PHYS REV B, 6304(4), 2001, pp. 5413
A theoretical approach to the single-source precursor concept: quantum chemical modeling of gas-phase reactions
Authors: Timoshkin, AY Bettinger, HF Schaefer, HF
Citation: Ay. Timoshkin et al., A theoretical approach to the single-source precursor concept: quantum chemical modeling of gas-phase reactions, J CRYST GR, 222(1-2), 2001, pp. 170-182
Reaction of the ethynyl radical, C2H, with methylacetylene, CH3CCH, under single collision conditions: Implications for astrochemistry
Authors: Stahl, F Schleyer, PV Bettinger, HF Kaiser, RI Lee, YT Schaefer, HF
Citation: F. Stahl et al., Reaction of the ethynyl radical, C2H, with methylacetylene, CH3CCH, under single collision conditions: Implications for astrochemistry, J CHEM PHYS, 114(8), 2001, pp. 3476-3487
Formation, isolation, spectroscopic properties, and calculated properties of some isomers of C60H36
Authors: Nossal, J Saini, RK Sadana, AK Bettinger, HF Alemany, LB Scuseria, GE Billups, WE Saunders, M Khong, A Weisemann, R
Citation: J. Nossal et al., Formation, isolation, spectroscopic properties, and calculated properties of some isomers of C60H36, J AM CHEM S, 123(35), 2001, pp. 8482-8495
The reaction of benzene with a ground state carbon atom, C(P-3(j))
Authors: Bettinger, HF Schleyer, PV Schaefer, HF Schreiner, PR Kaiser, RI Lee, YT
Citation: Hf. Bettinger et al., The reaction of benzene with a ground state carbon atom, C(P-3(j)), J CHEM PHYS, 113(10), 2000, pp. 4250-4264
Crossed beam reaction of phenyl radicals with unsaturated hydrocarbon molecules. I. Chemical dynamics of phenylmethylacetylene (C6H5CCCH3;X (1)A(')) formation from reaction of C6H5(X (2)A(1)) with methylacetylene, CH3CCH(X (1)A(1))
Authors: Kaiser, RI Asvany, O Lee, YT Bettinger, HF Schleyer, PV Schaefer, HF
Citation: Ri. Kaiser et al., Crossed beam reaction of phenyl radicals with unsaturated hydrocarbon molecules. I. Chemical dynamics of phenylmethylacetylene (C6H5CCCH3;X (1)A(')) formation from reaction of C6H5(X (2)A(1)) with methylacetylene, CH3CCH(X (1)A(1)), J CHEM PHYS, 112(11), 2000, pp. 4994-5001
The infrared vibrational spectra of the two major C-84 isomers
Authors: Bettinger, HF Scuseria, GE
Citation: Hf. Bettinger et Ge. Scuseria, The infrared vibrational spectra of the two major C-84 isomers, CHEM P LETT, 332(1-2), 2000, pp. 35-42
Formation of nitriles in the interstellar medium via reactions of cyano radicals, CN(X (2)Sigma(+)), with unsaturated hydrocarbons
Authors: Balucani, N Asvany, O Huang, LCL Lee, YT Kaiser, RI Osamura, Y Bettinger, HF
Citation: N. Balucani et al., Formation of nitriles in the interstellar medium via reactions of cyano radicals, CN(X (2)Sigma(+)), with unsaturated hydrocarbons, ASTROPHYS J, 545(2), 2000, pp. 892-906
Structural isomerization of cyclopropane: a new mechanism through propylidene
Authors: Bettinger, HF Rienstra-Kiracofe, JC Hoffman, BC Schaefer, HF Baldwin, JE Schleyer, PV
Citation: Hf. Bettinger et al., Structural isomerization of cyclopropane: a new mechanism through propylidene, CHEM COMMUN, (16), 1999, pp. 1515-1516
The thermodynamic stabilities of tricyclic tetraene C12H12 hydrocarbons
Authors: Bettinger, HF Pak, CH Xie, YM Schleyer, PV Schaefer, HF
Citation: Hf. Bettinger et al., The thermodynamic stabilities of tricyclic tetraene C12H12 hydrocarbons, J CHEM S P2, (11), 1999, pp. 2377-2381
Aza[10]annulene: Next higher aromatic analogue of pyridine
Authors: Bettinger, HF Sulzbach, HM Schleyer, PV Schaefer, HF
Citation: Hf. Bettinger et al., Aza[10]annulene: Next higher aromatic analogue of pyridine, J ORG CHEM, 64(9), 1999, pp. 3278-3280
Crossed beam reaction of cyano radicals with hydrocarbon molecules. I. Chemical dynamics of cyanobenzene (C6H5CN; X (1)A(1)) and perdeutero cyanobenzene (C6D5CN; X (1)A(1)) formation from reaction of CN(X (2)Sigma(+)) with benzene C6H6(X (1)A(1g)), and d(6)-benzene C6D6(X (1)A(1g))
Authors: Balucani, N Asvany, O Chang, AHH Lin, SH Lee, YT Kaiser, RI Bettinger, HF Schleyer, PVR Schaefer, HF
Citation: N. Balucani et al., Crossed beam reaction of cyano radicals with hydrocarbon molecules. I. Chemical dynamics of cyanobenzene (C6H5CN; X (1)A(1)) and perdeutero cyanobenzene (C6D5CN; X (1)A(1)) formation from reaction of CN(X (2)Sigma(+)) with benzene C6H6(X (1)A(1g)), and d(6)-benzene C6D6(X (1)A(1g)), J CHEM PHYS, 111(16), 1999, pp. 7457-7471
Crossed beam reaction of cyano radicals with hydrocarbon molecules. II. Chemical dynamics of 1-cyano-1-methylallene (CNCH3CCCH2; X (1)A(')) formationfrom reaction of CN(X (2)Sigma(+)) with dimethylacetylene CH3CCCH3 (X (1)A(1)('))
Authors: Balucani, N Asvany, O Chang, AHH Lin, SH Lee, YT Kaiser, RI Bettinger, HF Schleyer, PV Schaefer, HF
Citation: N. Balucani et al., Crossed beam reaction of cyano radicals with hydrocarbon molecules. II. Chemical dynamics of 1-cyano-1-methylallene (CNCH3CCCH2; X (1)A(')) formationfrom reaction of CN(X (2)Sigma(+)) with dimethylacetylene CH3CCCH3 (X (1)A(1)(')), J CHEM PHYS, 111(16), 1999, pp. 7472-7479
Crossed beams reaction of atomic carbon, C(P-3(j)), with d(6)-benzene, C6D6(X(1)A(1g)): Observation of the per-deutero-1,2-didehydrocycloheptatrienylradical, C7D5((XB2)-B-2)
Authors: Kaiser, RI Hahndorf, I Huang, LCL Lee, YT Bettinger, HF Schleyer, PV Schaefer, HF Schreiner, PR
Citation: Ri. Kaiser et al., Crossed beams reaction of atomic carbon, C(P-3(j)), with d(6)-benzene, C6D6(X(1)A(1g)): Observation of the per-deutero-1,2-didehydrocycloheptatrienylradical, C7D5((XB2)-B-2), J CHEM PHYS, 110(13), 1999, pp. 6091-6094
Role of the terminal atoms in the donor-acceptor complexes MX3-D (M = Al, Ga, In; X = F, Cl, Br, I; D = YH3, YX3, X-; Y = N, P, As)
Authors: Timoshkin, AY Suvorov, AV Bettinger, HF Schaefer, HF
Citation: Ay. Timoshkin et al., Role of the terminal atoms in the donor-acceptor complexes MX3-D (M = Al, Ga, In; X = F, Cl, Br, I; D = YH3, YX3, X-; Y = N, P, As), J AM CHEM S, 121(24), 1999, pp. 5687-5699
Tetradehydrobenzenes: Singlet-triplet energy separations and vibrational frequencies
Authors: Bettinger, HF Schleyer, PVR Schaefer, HF
Citation: Hf. Bettinger et al., Tetradehydrobenzenes: Singlet-triplet energy separations and vibrational frequencies, J AM CHEM S, 121(12), 1999, pp. 2829-2835
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