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DOI: 10.1063/1.1748011
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The Interlayer Binding in Graphite

Robert O. Brennan
The Journal of Chemical Physics 20 (1) 40 (1952)
DOI: 10.1063/1.1700193
See this article

Spin—Orbit Interactions and Their Effect on the Zero‐Field Splitting of the Methylene Radical

Sidney J. Fogel and Hendrik F. Hameka
The Journal of Chemical Physics 42 (1) 132 (1965)
DOI: 10.1063/1.1695658
See this article

Molecular Orbitals for Excited States

Sten Lunell and Peter Lindner
Physica Scripta 10 (6) 337 (1974)
DOI: 10.1088/0031-8949/10/6/010
See this article

Energy partitioning in association processes

Alexandre R. F. Carvalho and André Melo
International Journal of Quantum Chemistry 104 (2) 240 (2005)
DOI: 10.1002/qua.20419
See this article

Theory of the Relation between Bond Length and Bond Order by an Extended INDO Method

Kei Odai, Hideki Ono and Hideo Suzuki
Journal of the Physical Society of Japan 65 (6) 1641 (1996)
DOI: 10.1143/JPSJ.65.1641
See this article

Electronic spectra of mono-, Di- and tri-azines of the naphtalene series I. Benzotriazine and its derivatives

M. Simonettaa, G. Favini, S. Carrà and V. Plerpaoli
Il Nuovo Cimento 4 (6) 1364 (1956)
DOI: 10.1007/BF02746367
See this article

Instrumental Inorganic Chemistry

Robert W. Kiser
Topics in Current Chemistry, Instrumental Inorganic Chemistry 85 89 (1979)
DOI: 10.1007/BFb0049981
See this article

Fortschritte der Chemischen Forschung Volume 3

Friedrich Becker
Fortschritte der Chemischen Forschung, Fortschritte der Chemischen Forschung Volume 3 3/2 187 (1955)
DOI: 10.1007/BFb0051775
See this article

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

R. S. Mulliken
The Journal of Chemical Physics 23 (10) 1833 (1955)
DOI: 10.1063/1.1740588
See this article

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies

R. S. Mulliken
The Journal of Chemical Physics 23 (10) 1841 (1955)
DOI: 10.1063/1.1740589
See this article

Studies of the Interaction between Stable Molecules and Atoms. III. A Molecular Orbital Treatment of the Quadratic Form of H4

Virginia Griffing and Andrej Maček
The Journal of Chemical Physics 23 (6) 1029 (1955)
DOI: 10.1063/1.1742185
See this article

Structure Éxectronique du Nitrosométhane Dimère Trans

M. van Meerssche and G. Leroy
Bulletin des Sociétés Chimiques Belges 69 (9-10) 492 (2010)
DOI: 10.1002/bscb.19600690906
See this article

Ionization and Dissociation of Molecules by Monoenergetic Electrons V. Acetylene and Ethylene

Jacques E. Collin
Bulletin des Sociétés Chimiques Belges 71 (1-2) 15 (2010)
DOI: 10.1002/bscb.19620710103
See this article

Étude Théorique des Systèmes Hétéroatomiques Conjugués. I. L'évaluation Semi-Empirique des Paramètres

C. Aussems, S. Jaspers, G. Leroy and F. Van Remoortere
Bulletin des Sociétés Chimiques Belges 78 (7-8) 407 (2010)
DOI: 10.1002/bscb.19690780709
See this article

Mechanical Control of Molecular Conductance and Diradical Character in Bond Stretching and π-Stack Compression

Yuta Tsuji, Kazuki Okazawa, Bo Chen and Kazunari Yoshizawa
The Journal of Physical Chemistry C 124 (42) 22941 (2020)
DOI: 10.1021/acs.jpcc.0c06198
See this article

Analysis of the A3(X3)3nuclear spin system and π-electron coupled hyperfine splitting constants in aromatic hydrocarbons

J.V. Acrivos
Molecular Physics 5 (1) 1 (1962)
DOI: 10.1080/00268976200100011
See this article

A determination of the electronegativity parameter in molecular orbital calculations on heteronuclear molecules containing nitrogen

Alf Lofthus
Molecular Physics 2 (4) 367 (1959)
DOI: 10.1080/00268975900100351
See this article

Quantum mechanical description of electrode reactions

Marzio A. Leban and Arthur T. Hubbard
Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 74 (3) 253 (1976)
DOI: 10.1016/S0022-0728(76)80111-8
See this article

Bond Localization and the Hyperconjugative Effect in the Aromatic Carbonium Ions. I. Absorption Spectra of Benzenium-,Toluenium-, and Mesitylenium- Ions

Toshifumi Morita
Bulletin of the Chemical Society of Japan 31 (3) 322 (1958)
DOI: 10.1246/bcsj.31.322
See this article

Electronic Spectra and Electronic Structures of BenzonitrileN-Oxide and Its Derivatives

Masumi Yamakawa, Tanekazu Kubota, Hideko Akazawa and Itaru Tanaka
Bulletin of the Chemical Society of Japan 41 (5) 1046 (1968)
DOI: 10.1246/bcsj.41.1046
See this article

Interacting Electrons in Reduced Dimensions

Anna Painelli and Alberto Girlando
NATO ASI Series, Interacting Electrons in Reduced Dimensions 213 165 (1989)
DOI: 10.1007/978-1-4613-0565-1_19
See this article

Metal-Ligand Interactions

Michael C. Zerner
Metal-Ligand Interactions 493 (1996)
DOI: 10.1007/978-94-009-0155-1_18
See this article

The bond orders of alternant hydrocarbon molecules

Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences 229 (1177) 251 (1955)
DOI: 10.1098/rspa.1955.0085
See this article

Theory and Applications of Computational Chemistry

Stephan Irle, Guishan Zheng, Marcus Elstner and Keiji Morokuma
Theory and Applications of Computational Chemistry 875 (2005)
DOI: 10.1016/B978-044451719-7/50074-3
See this article

Analogies among chemical properties of metal surfaces, organometallic molecules, and enzymes

Keith H. Johnson
Critical Reviews in Solid State and Materials Sciences 7 (2) 101 (1978)
DOI: 10.1080/10408437808243434
See this article

Alternations in the secondary emission of molecular ions from noble metals

P. Joyes
Journal of Physics and Chemistry of Solids 32 (6) 1269 (1971)
DOI: 10.1016/S0022-3697(71)80184-1
See this article

Electron emission from fluorene (C13H10) upon 3.5 MeV/u Si8+ ion impact: double differential distributions

Chandan Bagdia, Anuvab Mandal, Madhusree Roy Chowdhury, Shamik Bhattacharjee, M Nrisimha Murty, Deepankar Misra, Christophe Champion, László Gulyás, Philippe F Weck and Lokesh C Tribedi
Journal of Physics B: Atomic, Molecular and Optical Physics 54 (15) 155202 (2021)
DOI: 10.1088/1361-6455/ac1a1e
See this article

Molecular Orbital Studies in Chemical Pharmacology

James R. Hoyland
Molecular Orbital Studies in Chemical Pharmacology 31 (1970)
DOI: 10.1007/978-3-642-87536-6_2
See this article

Calculations of total electron-impact ionization cross sections for Fluoroketone C 5 F 10 O and Fluoronitrile C 4 F 7 N using modified Deutsch–Märk formula

Jiayu Xiong, Xingwen Li, Jian Wu, Xiaoxue Guo and Hu Zhao
Journal of Physics D: Applied Physics 50 (44) 445206 (2017)
DOI: 10.1088/1361-6463/aa881d
See this article

Semiempirical Methods of Electronic Structure Calculation

Josef Michl
Semiempirical Methods of Electronic Structure Calculation 99 (1977)
DOI: 10.1007/978-1-4684-2559-8_3
See this article

Photoswitching of the magnetic properties of one-dimensional π-electron systems

F. Dietz, A. Staykov, S. Karabunarliev and N. Tyutyulkov
Journal of Photochemistry and Photobiology A: Chemistry 155 (1-3) 21 (2003)
DOI: 10.1016/S1010-6030(02)00365-9
See this article

Bond Characters and Nuclear Quadrupole Coupling Constants of Halogen Molecules

H. Hamano
The Journal of Chemical Physics 30 (2) 598 (1959)
DOI: 10.1063/1.1730007
See this article

Electron-Rich Three-Center Bonding:  Role of s,p Interactions across the p-Block

Markéta L. Munzarová and Roald Hoffmann
Journal of the American Chemical Society 124 (17) 4787 (2002)
DOI: 10.1021/ja010897f
See this article

Nonadiabatic Trajectory Studies of NaI(H2O)n Photodissociation Dynamics

Denise M. Koch, Qadir K. Timerghazin, Gilles H. Peslherbe, Branka M. Ladanyi and James T. Hynes
The Journal of Physical Chemistry A 110 (4) 1438 (2006)
DOI: 10.1021/jp054692v
See this article

Electronic Energy Transfer in Multichromophoric Arrays. The Effects of Disorder on Superexchange Coupling and Energy Transfer Rate

Edwin K. L. Yeow and Kenneth P. Ghiggino
The Journal of Physical Chemistry A 104 (24) 5825 (2000)
DOI: 10.1021/jp994218n
See this article

Interaction of Acetone with Single Wall Carbon Nanotubes at Cryogenic Temperatures: A Combined Temperature Programmed Desorption and Theoretical Study

Dmitry Kazachkin, Yoshifumi Nishimura, Stephan Irle, Keiji Morokuma, Radisav D. Vidic and Eric Borguet
Langmuir 24 (15) 7848 (2008)
DOI: 10.1021/la800030y
See this article

Feng Tang, Jiayu Xiong, Boya Zhang, Qishen Lv and Xingwen Li
94 (2019)
DOI: 10.1109/ICEPE-ST.2019.8928811
See this article

Covalent Polymers of Water

Chester T. O'Konski
Science 168 (3935) 1089 (1970)
DOI: 10.1126/science.168.3935.1089
See this article

A viewpoint on population analyses

Ernest R. Davidson and Aurora E. Clark
International Journal of Quantum Chemistry 122 (8) (2022)
DOI: 10.1002/qua.26860
See this article

Sven Stafström and Magnus Hultell
207 (2011)
DOI: 10.1002/9783527633074.ch8
See this article

A study of excited state molecular vibrations of aromatic hydrocarbons

Koichi Ohno
Chemical Physics Letters 64 (3) 560 (1979)
DOI: 10.1016/0009-2614(79)80244-4
See this article

Hubbard models and their applicability in solid state and molecular physics

Anna Painelli and Alberto Girlando
Solid State Communications 66 (3) 273 (1988)
DOI: 10.1016/0038-1098(88)90561-3
See this article