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Markus Hermann et al.
CHEMISTRY-A EUROPEAN JOURNAL (2016)
Comment on The Nature of the Fourth Bond in the Ground State of C2: The Quadruple Bond Conundrum
Joerg Grunenberg
CHEMISTRY-A EUROPEAN JOURNAL (2015)
Simultaneous analysis of the Ballik-Ramsay and Phillips systems of C2 and observation of forbidden transitions between singlet and triplet states
Wang Chen et al.
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Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry
Branko Ruscic
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Resonance-Enhanced 2-Photon Ionization Scheme for C2 through a Newly Identified Band System: 43Πg-a3Πu
Olha Krechkivska et al.
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Laboratory confirmation of C60+ as the carrier of two diffuse interstellar bands
E. K. Campbell et al.
NATURE (2015)
Insights into the Perplexing Nature of the Bonding in C2 from Generalized Valence Bond Calculations
Lu T. Xu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
One Molecule, Two Atoms, Three Views, Four Bonds?
Sason Shaik et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Critical Comments on One Molecule, Two Atoms, Three Views, Four Bonds?
Gernot Frenking et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Line strengths and updated molecular constants for the C2 Swan system
James S. A. Brooke et al.
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER (2013)
Active Thermochemical Tables: dissociation energies of several homonuclear first-row diatomics and related thermochemical values
Branko Ruscic et al.
THEORETICAL CHEMISTRY ACCOUNTS (2013)
Detection of C60 in embedded young stellar objects, a Herbig Ae/Be star and an unusual post-asymptotic giant branch star
Kyle R. G. Roberts et al.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2012)
Quadruple bonding in C2 and analogous eight-valence electron species
Sason Shaik et al.
NATURE CHEMISTRY (2012)
The 15Πg state of C2
Timothy W. Schmidt et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Detection of C60 and C70 in a Young Planetary Nebula
Jan Cami et al.
SCIENCE (2010)
Current assessment of the Red Rectangle band problem
R. J. Glinski et al.
ASTROPHYSICS AND SPACE SCIENCE (2009)
Quantum chemical study and experimental observation of a new band system of C2, e 3Πg-c 3Σu+
Masakazu Nakajima et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Determination of the ionization and dissociation energies of the hydrogen molecule
Jinjun Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
High-accuracy extrapolated ab initio thermochemistry.: III.: Additional improvements and overview
Michael E. Harding et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The ionization energy of Be(2), and spectroscopic characterization of the (1)(3)Sigma(+)(u), (2)(3)Pi(g), and (3)(3)Pi(g) states
Jeremy M. Merritt et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Oscillator strengths of the Mulliken, Swan, Ballik-Ramsay, Phillips, and d3Πg←c3Σu+ systems of C2 calculated by MRCI methods utilizing a biorthogonal transformation of CASSCF orbitals
Timothy W. Schmidt et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Oscillator strengths and radiative lifetimes for C2:: Swan, Ballik-Ramsay, Phillips, and d 3Πg←c 3Σu+ systems
Damian L. Kokkin et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
High-accuracy extrapolated ab initio thermochemistry.: II.: Minor improvements to the protocol and a vital simplification
Yannick J. Bomble et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Sequence structure emission in the red rectangle bands
RG Sharp et al.
ASTROPHYSICAL JOURNAL (2006)
Coupled-cluster methods including noniterative corrections for quadruple excitations -: art. no. 054101
YJ Bomble et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
HEAT:: High accuracy extrapolated ab initio thermochemistry
A Tajti et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
High-resolution spectroscopy of the 22Πu←X4Σg- forbidden transitions of C2+
CG Tarsitano et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Bond dissociation energies of organic molecules
SJ Blanksby et al.
ACCOUNTS OF CHEMICAL RESEARCH (2003)
The generalized Douglas-Kroll transformation
A Wolf et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Parallel Douglas-Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas-Kroll contracted basis sets
WA de Jong et al.
JOURNAL OF CHEMICAL PHYSICS (2001)