| 1 |
coupled-cluster singles and doubles
(152 times)
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Chemistry
(150 times)
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DFT (24 times)
CCSDT (9 times)
CC (8 times)
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2004 The permanent dipole moment of gas-phase para-amino benzoic acid revisited.
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| 2 |
cluster theory with single and double excitations
(49 times)
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Chemistry
(46 times)
|
DFT (7 times)
PES (4 times)
CISD (3 times)
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2004 An ab initio correlated study of the potential energy surface for the HOBr.H2O complex.
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| 3 |
CC singles and doubles
(12 times)
|
Chemistry
(12 times)
|
CC (9 times)
CCSDT (2 times)
HF (2 times)
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2005 Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian.
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| 4 |
coupled cluster
(8 times)
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Chemistry
(7 times)
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DFT (3 times)
LC (1 time)
ORD (1 time)
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2005 Hybrid correlation models based on active-space partitioning: correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions.
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| 5 |
canine congenital sensorineural deafness
(3 times)
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Veterinary Medicine
(2 times)
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BAER (1 time)
GWAS (1 time)
MITF (1 time)
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2009 A role of the microphthalmia-associated transcription factor in congenital sensorineural deafness and eye pigmentation in Dalmatian dogs.
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| 6 |
Complex Carbohydrate Structure Database
(3 times)
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Biochemistry
(3 times)
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---
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1989 The Complex Carbohydrate Structure Database.
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| 7 |
CC singles and doubles levels
(2 times)
|
Biophysics
(2 times)
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SOC (2 times)
CCS (1 time)
DIPs (1 time)
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2012 Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling.
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| 8 |
concentric-cylinder shear device
(2 times)
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Biomedical Engineering
(2 times)
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rhDNase (2 times)
rhGH (2 times)
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1996 Effect of high shear on proteins.
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| 9 |
coupled-cluster level of theory
(2 times)
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Biophysics
(2 times)
|
---
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2009 Accurate dipole polarizabilities for water clusters n=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals.
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| 10 |
form--coated crystals made by spray drying
(2 times)
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Pharmacology
(2 times)
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CR (1 time)
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2012 In vitro and in vivo characterization of amorphous, nanocrystalline, and crystalline ziprasidone formulations.
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| 11 |
aug-cc-pVDZ basis deviated from the delta
(1 time)
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Biophysics
(1 time)
|
CBS (1 time)
CP (1 time)
MP2 (1 time)
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2012 Basis set dependence of higher-order correlation effects in pi-type interactions.
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| 12 |
aug-cc-pVDZ basis set to compute delta
(1 time)
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Biophysics
(1 time)
|
CBS (1 time)
CP (1 time)
MP2 (1 time)
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2012 Basis set dependence of higher-order correlation effects in pi-type interactions.
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| 13 |
calculated at the SOPPA
(1 time)
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Chemistry
(1 time)
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DSO (1 time)
FC (1 time)
PSO (1 time)
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2011 Effect of electronic interactions on NMR 1J(CF) and 2J(CF) couplings in cis- and trans-4-t-butyl-2-fluorocyclohexanones and their alcohol derivatives.
|
| 14 |
calculated by SOPPA
(1 time)
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Molecular Biology
(1 time)
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---
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2017 Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.
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| 15 |
calculated energies of the interactions are significant, up to DeltaE
(1 time)
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Chemistry
(1 time)
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NOCV (1 time)
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2015 Nature of the water/aromatic parallel alignment interactions.
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| 16 |
calculation considered
(1 time)
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Biophysics
(1 time)
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---
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1996 Infrared laser spectroscopy of jet-cooled carbon clusters: the nu 5 band of linear C9.
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| 17 |
calculations with singles and doubles
(1 time)
|
Biophysics
(1 time)
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CC (1 time)
NDC (1 time)
PES (1 time)
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2005 Implementation of the locally renormalized CCSD(T) approaches for arbitrary reference function.
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| 18 |
Cambridge Crystallographic Structure Database
(1 time)
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Pharmacology
(1 time)
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---
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2006 Grid-based molecular modeling for pharmaceutical salt screening: Case example of 3,4,6,7,8,9-hexahydro-2H-pyrimido (1,2-a) pyrimidinium acetate.
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| 19 |
canal shortening distance
(1 time)
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Orthopedics
(1 time)
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CT (1 time)
SCSD (1 time)
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2017 Computed Tomography Based Three-dimensional Measurements of Spine Shortening Distance After Posterior Three-column Osteotomies for the Treatment of Severe and Stiff Scoliosis.
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| 20 |
canonical C-terminal SUN-domain
(1 time)
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Botany
(1 time)
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PM3 (1 time)
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2010 Structure and expression of the maize (Zea mays L.) SUN-domain protein gene family: evidence for the existence of two divergent classes of SUN proteins in plants.
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| 21 |
CC approach with singles and doubles
(1 time)
|
Chemistry
(1 time)
|
BDE (1 time)
CASSCF (1 time)
CC (1 time)
|
2012 The Cobalt-Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations.
|
| 22 |
CCS distributions
(1 time)
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Chemistry Techniques, Analytical
(1 time)
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ATD (1 time)
CCS (1 time)
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2017 Drift Tube Ion Mobility: How to Reconstruct Collision Cross Section Distributions from Arrival Time Distributions?
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| 23 |
CCSD interactions energies, denoted delta
(1 time)
|
Biophysics
(1 time)
|
CBS (1 time)
CP (1 time)
MP2 (1 time)
|
2012 Basis set dependence of higher-order correlation effects in pi-type interactions.
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| 24 |
CCSD or SOPPA
(1 time)
|
Biophysics
(1 time)
|
---
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2010 Benchmarking NMR indirect nuclear spin-spin coupling constants: SOPPA, SOPPA(CC2), and SOPPA(CCSD) versus CCSD.
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| 25 |
Cherry Creek School District's
(1 time)
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---
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2017 Engaging the community in the process of changing school start times: experience of the Cherry Creek School District.
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| 26 |
chlorotic curly stunt disease
(1 time)
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Virology
(1 time)
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CP (1 time)
Rep (1 time)
SLCCV (1 time)
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2010 Chlorotic curly stunt: a severe begomovirus disease of bottle gourd in northern India.
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| 27 |
chronic cervical spinal disorder
(1 time)
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Orthopedics
(1 time)
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CLSD (1 time)
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2004 Relevance of aerobic capacity measurements in the treatment of chronic work-related spinal disorders.
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| 28 |
Clark County School District
(1 time)
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Dentistry
(1 time)
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KABI (1 time)
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2011 Ninth-grade students' perceived attitudes and behaviors in a tobacco cessation program delivered by dental educators.
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| 29 |
cluster formalism employing single and double excitations
(1 time)
|
Chemistry
(1 time)
|
AO (1 time)
CD (1 time)
SVD (1 time)
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2017 Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations.
|
| 30 |
cluster including all single and double excitations
(1 time)
|
Biophysics
(1 time)
|
---
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2005 Does GaH5 exist?
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| 31 |
cluster theory incorporating single and double excitation
(1 time)
|
Chemistry
(1 time)
|
CBS (1 time)
PES (1 time)
SCF (1 time)
|
2013 Structures and transition states of Ge2CH2.
|
| 32 |
cluster theory truncated to singles and doubles
(1 time)
|
Chemistry
(1 time)
|
pCCD (1 time)
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2015 Can Single-Reference Coupled Cluster Theory Describe Static Correlation?
|
| 33 |
colon cancer-specific death
(1 time)
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Neoplasms
(1 time)
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HR (1 time)
PSM (1 time)
SHR (1 time)
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2018 Competing nomograms help in the selection of elderly patients with colon cancer for adjuvant chemotherapy.
|
| 34 |
connected single and double excitation operators
(1 time)
|
Biophysics
(1 time)
|
AO (1 time)
CCD (1 time)
HF (1 time)
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2004 Coupled-cluster singles and doubles for extended systems.
|
| 35 |
constants is compared to SOPPA and SOPPA
(1 time)
|
Biophysics
(1 time)
|
---
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2010 Benchmarking NMR indirect nuclear spin-spin coupling constants: SOPPA, SOPPA(CC2), and SOPPA(CCSD) versus CCSD.
|
| 36 |
Copper Chaperone for Superoxide Dismutase
(1 time)
|
Botany
(1 time)
|
CSD1 (1 time)
SOD (1 time)
|
2019 Osa-miR398b boosts H2 O2 production and rice blast disease-resistance via multiple superoxide dismutases.
|
| 37 |
coupled cluster theory
(1 time)
|
Molecular Biology
(1 time)
|
---
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2011 Infrared and electronic absorption spectra of n-butyronitrile and its ions using Moller Plesset method.
|
| 38 |
coupled with a highly sophisticated ab initio electronic structure theory
(1 time)
|
Biophysics
(1 time)
|
pNBS (1 time)
|
2010 Ab initio study on SN2 reaction of methyl p-nitrobenzenesulfonate and chloride anion in [mmim][PF6].
|
| 39 |
coupled-cluster approximation with single- and double-excitation operators
(1 time)
|
Chemistry
(1 time)
|
DFT (1 time)
MP (1 time)
|
2011 Accuracy of Calculated Chemical Shifts in Carbon 1s Ionization Energies from Single-Reference ab Initio Methods and Density Functional Theory.
|
| 40 |
Coupled-Cluster expansion, truncated after single and double excitations
(1 time)
|
Biophysics
(1 time)
|
PNO (1 time)
|
2017 A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory.
|
| 41 |
coupled-cluster method for excited states with the singles-and-doubles model
(1 time)
|
Biophysics
(1 time)
|
---
|
2009 Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD(R12) and CCSD(F12) models.
|
| 42 |
coupled-cluster perturbation theory using full treatment of singles and doubles
(1 time)
|
Chemistry
(1 time)
|
GGA (1 time)
|
2019 Evaluating Density Functionals by Examining Molecular Structures, Chemical Bonding, and Relative Energies of Mononuclear Ru-Cl-H-PR3 Isomers.
|
| 43 |
PCM-CC-PTDE equations are derived at the single and double
(1 time)
|
Biophysics
(1 time)
|
CC (1 time)
PCM (1 time)
|
2009 Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives.
|
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