Binuclear platinum(II) complexes based on a new bis-bidentate 3,6-di(thien-2-yl)pyridazine skeleton, a novel type of deep-red phosphorescent emitters: Synthesis and nonempirical calculations

Programs for nonempirical calculations of photoelectron spectra

10.1007/bf00752498 ◽

1991 ◽

Vol 31 (4) ◽

pp. 650-652

Author(s):

V. G. Zakzhevskii

Keyword(s):

Photoelectron Spectra ◽

Nonempirical calculations of NQR spectrum parameters of azetidine

Russian Chemical Bulletin ◽

10.1007/bf01430632 ◽

1996 ◽

Vol 45 (12) ◽

pp. 2737-2740

Author(s):

M. Yu. Balakina ◽

O. D. Fominykh ◽

I. D. Morozova ◽

D. Ya. Osokin

Keyword(s):

Nonempirical calculations of molecular characteristics

10.1007/bf00746548 ◽

1983 ◽

Vol 23 (6) ◽

pp. 947-955

Author(s):

A. I. Dement'ev

Keyword(s):

Molecular Characteristics ◽

13C-13C Spin-Spin Coupling Constants in Structural Studies: XXXIV. Nonempirical Calculations: Small Heterocycles

Russian Journal of Organic Chemistry ◽

10.1023/b:rujo.0000013137.36900.82 ◽

2003 ◽

Vol 39 (11) ◽

pp. 1618-1628 ◽

Cited By ~ 4

Author(s):

L. B. Krivdin ◽

T. A. Kuznetsova

Keyword(s):

Coupling Constants ◽

Spin Coupling ◽

Structural Studies ◽

Spin Coupling Constants ◽

Spin Spin Coupling

Nonempirical Calculations on Excited States: The Formaldehyde Molecule

The Journal of Chemical Physics ◽

10.1063/1.1668203 ◽

1968 ◽

Vol 48 (11) ◽

pp. 5263-5270 ◽

Cited By ~ 114

Author(s):

Thomas H. Dunning ◽

Vincent McKoy

Keyword(s):

Excited States ◽

Formaldehyde Molecule

All-electron nonempirical calculations of potential surfaces. 4. Abstraction reactions of chlorine on methane

Journal of the American Chemical Society ◽

10.1021/ja00439a006 ◽

1976 ◽

Vol 98 (23) ◽

pp. 7152-7156 ◽

Cited By ~ 2

Author(s):

Edwin L. Motell ◽

William H. Fink

Keyword(s):

Potential Surfaces ◽

Nonempirical calculations of potential energy surfaces, structures, and stabilities of OF2Li+, SF2Li+, F2Li+, and CIFLi+ ions

10.1007/bf00752783 ◽

1990 ◽

Vol 30 (6) ◽

pp. 883-885

Author(s):

V. V. Yakobson ◽

O. P. Charkin

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Energy Surfaces

Nonempirical calculations of NQR parameters in some three-membered rings

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03780-o ◽

1994 ◽

Vol 315 ◽

pp. 229-237 ◽

Cited By ~ 3

Author(s):

O.D. Fominykh ◽

M.Yu. Balakina ◽

I.D. Morozova ◽

D.Ya. Osokin

Keyword(s):

Nqr Parameters

Nonempirical calculations of models of interstitial defects in an LiF crystal

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science ◽

10.1007/bf00962113 ◽

1989 ◽

Vol 38 (10) ◽

pp. 2087-2092 ◽

Cited By ~ 1

Author(s):

I. L. Shamovskii ◽

L. M. Shamovskii ◽

A. I. Boldyrev ◽

V. V. Nefedova

Keyword(s):

Interstitial Defects

Force constants, vibrational frequencies, and barriers to intramolecular rearrangements in LiNC, LiBO2, and LiNO2 according to data from nonempirical calculations with the consideration of electron correlation

10.1007/bf00743574 ◽

1990 ◽

Vol 31 (3) ◽

pp. 386-391

Author(s):

V. G. Solomonik ◽

V. L. Bugaenko

Keyword(s):

Electron Correlation ◽

Vibrational Frequencies ◽

Force Constants ◽

Intramolecular Rearrangements ◽